1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one

C24H34N4O — CID 147736630

IUPAC1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](CC(=O)CC3(N)CCCCC3)C2)c2cccnc12
InChIInChI=1S/C24H34N4O/c1-17-11-19(12-20(29)13-24(25)8-4-3-5-9-24)16-28(15-17)22-14-27-18(2)23-21(22)7-6-10-26-23/h6-7,10,14,17,19H,3-5,8-9,11-13,15-16,25H2,1-2H3/t17-,19-/m0/s1
InChIKeyGZMNCEQGCPVEEC-HKUYNNGSSA-N
MW394.56 g/mol
LogP4.41
Rot. Bonds5

About 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one

1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one (PubChem CID 147736630) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
PubChem CID147736630
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
SMILESCc1ncc(N2C[C@@H](C)C[C@@H](CC(=O)CC3(N)CCCCC3)C2)c2cccnc12
InChIInChI=1S/C24H34N4O/c1-17-11-19(12-20(29)13-24(25)8-4-3-5-9-24)16-28(15-17)22-14-27-18(2)23-21(22)7-6-10-26-23/h6-7,10,14,17,19H,3-5,8-9,11-13,15-16,25H2,1-2H3/t17-,19-/m0/s1
InChIKeyGZMNCEQGCPVEEC-HKUYNNGSSA-N
XLogP4.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-cyclopropyl-1-hydroxy-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one
CID 160511355
2-(1-methylazetidin-3-yl)-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]acetamide
CID 129240789
2-(1-aminocyclohexyl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776942
3-hydroxy-3-methyl-N-[(3R,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]butanamide
CID 129241169
tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate
CID 158758384
2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 159921824
tert-butyl 6-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-5-oxohexanoate
CID 161485665
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
[2-methyl-1-[(3R,4R)-4-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)pyrrolidin-3-yl]propan-2-yl] carbamate
CID 175014589
(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine
CID 129241091
8-[(3S,5S)-3-[3-(1,4-dimethylpiperidin-4-yl)-2-oxopropyl]-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile
CID 161437203

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one (CID 147736630) is 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one is Cc1ncc(N2C[C@@H](C)C[C@@H](CC(=O)CC3(N)CCCCC3)C2)c2cccnc12.
What is the InChIKey of 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
The InChIKey is GZMNCEQGCPVEEC-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H34N4O/c1-17-11-19(12-20(29)13-24(25)8-4-3-5-9-24)16-28(15-17)22-14-27-18(2)23-21(22)7-6-10-26-23/h6-7,10,14,17,19H,3-5,8-9,11-13,15-16,25H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one?
1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one has a molecular weight of 394.56 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-3-[(3S,5S)-5-methyl-1-(8-methyl-1,7-naphthyridin-5-yl)piperidin-3-yl]propan-2-one is sourced from PubChem (CID 147736630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).