1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide

C44H70N8O5 — CID 166683503

IUPAC1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide
SMILESCC(=O)N1CCC(NC2NC(N3CCCCC3)CC(C(=O)NCC(O)CN3CCc4nc(OCc5ocnc5C)ccc4C3)C23CCCCCCCCCC3)CC1
InChIInChI=1S/C44H70N8O5/c1-32-39(57-31-46-32)30-56-41-15-14-34-28-50(23-18-38(34)48-41)29-36(54)27-45-42(55)37-26-40(52-21-12-9-13-22-52)49-43(47-35-16-24-51(25-17-35)33(2)53)44(37)19-10-7-5-3-4-6-8-11-20-44/h14-15,31,35-37,40,43,47,49,54H,3-13,16-30H2,1-2H3,(H,45,55)
InChIKeyPBBCZNBHHKPYQH-UHFFFAOYSA-N
MW791.09 g/mol
LogP5.04
Rot. Bonds11

About 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide

1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide (PubChem CID 166683503) has the molecular formula C44H70N8O5 and a molecular weight of 791.09 g/mol. Its IUPAC name is 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide.

Molecular Properties

Compound Name1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide
PubChem CID166683503
Molecular FormulaC44H70N8O5
Molecular Weight791.09 g/mol
Exact Mass790.55
IUPAC Name1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide
SMILESCC(=O)N1CCC(NC2NC(N3CCCCC3)CC(C(=O)NCC(O)CN3CCc4nc(OCc5ocnc5C)ccc4C3)C23CCCCCCCCCC3)CC1
InChIInChI=1S/C44H70N8O5/c1-32-39(57-31-46-32)30-56-41-15-14-34-28-50(23-18-38(34)48-41)29-36(54)27-45-42(55)37-26-40(52-21-12-9-13-22-52)49-43(47-35-16-24-51(25-17-35)33(2)53)44(37)19-10-7-5-3-4-6-8-11-20-44/h14-15,31,35-37,40,43,47,49,54H,3-13,16-30H2,1-2H3,(H,45,55)
InChIKeyPBBCZNBHHKPYQH-UHFFFAOYSA-N
XLogP5.04
TPSA148.33 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.09
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide with MolForge

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Related Compounds

1-[2-[(1-acetylpiperidin-4-yl)amino]-6-piperidin-1-yl-4-pyridinyl]-4-hydroxy-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
CID 162219137
2-(cyclobutylamino)-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]pyridine-4-carboxamide
CID 166672352
2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide
CID 166672403
2-[(1-acetylpiperidin-4-yl)amino]-6-cyclohexyl-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 158413357
N-[(2S)-3-[5-chloro-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]-1-(cyclobutylamino)-3-[2-(dimethylamino)ethoxy]-2-azaspiro[5.10]hexadecane-5-carboxamide
CID 163892968
3-cyclodecyl-2-(4-ethylpiperazin-1-yl)-N-[(2S)-2-hydroxy-3-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-(oxetan-3-ylamino)-1,3-diazinane-4-carboxamide
CID 166683530
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 162458116
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 166672185
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 166672193
6-[(1-acetyl-2-methylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166672358
2-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[5-methyl-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 159845835
6-[(1-acetylazetidin-3-yl)amino]-2-tert-butyl-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166672289

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide?
The IUPAC name of 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide (CID 166683503) is 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide.
What is the SMILES notation for 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide?
The canonical SMILES for 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide is CC(=O)N1CCC(NC2NC(N3CCCCC3)CC(C(=O)NCC(O)CN3CCc4nc(OCc5ocnc5C)ccc4C3)C23CCCCCCCCCC3)CC1.
What is the InChIKey of 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide?
The InChIKey is PBBCZNBHHKPYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H70N8O5/c1-32-39(57-31-46-32)30-56-41-15-14-34-28-50(23-18-38(34)48-41)29-36(54)27-45-42(55)37-26-40(52-21-12-9-13-22-52)49-43(47-35-16-24-51(25-17-35)33(2)53)44(37)19-10-7-5-3-4-6-8-11-20-44/h14-15,31,35-37,40,43,47,49,54H,3-13,16-30H2,1-2H3,(H,45,55).
What are the key properties of 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide?
1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide has a molecular weight of 791.09 g/mol, XLogP of 5.04, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-3-piperidin-1-yl-2-azaspiro[5.10]hexadecane-5-carboxamide is sourced from PubChem (CID 166683503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).