1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

C43H63N7O5 — CID 172723526

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESC[C@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccccc56)cccc4[nH]3)CC2)CC[C@@H]1O.NC1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C31H38N4O4.C12H25N3O/c1-21-18-35(14-11-28(21)36)16-15-34-12-9-23(10-13-34)32-31(37)27-17-25-26(33-27)6-4-8-30(25)39-20-22-19-38-29-7-3-2-5-24(22)29;13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15/h2-8,17,19,21,23,28,33,36H,9-16,18,20H2,1H3,(H,32,37);11-12,16H,1-10,13H2/t21-,28-;/m0./s1
InChIKeyGVKKFOYUPBGGOJ-PAILKBBZSA-N
MW758.02 g/mol
LogP4.26
Rot. Bonds11

About 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 172723526) has the molecular formula C43H63N7O5 and a molecular weight of 758.02 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID172723526
Molecular FormulaC43H63N7O5
Molecular Weight758.02 g/mol
Exact Mass757.49
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESC[C@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccccc56)cccc4[nH]3)CC2)CC[C@@H]1O.NC1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C31H38N4O4.C12H25N3O/c1-21-18-35(14-11-28(21)36)16-15-34-12-9-23(10-13-34)32-31(37)27-17-25-26(33-27)6-4-8-30(25)39-20-22-19-38-29-7-3-2-5-24(22)29;13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15/h2-8,17,19,21,23,28,33,36H,9-16,18,20H2,1H3,(H,32,37);11-12,16H,1-10,13H2/t21-,28-;/m0./s1
InChIKeyGVKKFOYUPBGGOJ-PAILKBBZSA-N
XLogP4.26
TPSA146.70 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500758.02
LogP ≤ 54.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

4-[(5-chloro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 11157314
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-[(7-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
CID 11157522
(3S,4S)-1-[2-(4-aminopiperidin-1-yl)ethyl]-3-methylpiperidin-4-ol;4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
CID 172778905
(3S,4S)-1-[2-(4-aminopiperidin-1-yl)ethyl]-3-methylpiperidin-4-ol;4-[(6-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid;dihydrochloride
CID 172760817
4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 11365284
(3S,4S)-1-[2-(4-amino-1-hydroxycyclohexyl)ethyl]-3-methylpiperidin-4-ol;4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
CID 172824204
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600191
N-[1-[2-(3,4-dihydroxypiperidin-1-yl)propyl]piperidin-4-yl]-4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
CID 66841835
4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 11227228
N-[4-hydroxy-4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]cyclohexyl]-4-[(4-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
CID 143739233
4-[(4-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-methyl-5-piperidin-1-ylpentyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 70947640
(3S,4S)-1-[2-(4-amino-1-hydroxycyclohexyl)ethyl]-3-methylpiperidin-4-ol;4-[[6-(2-propan-2-yloxyethoxy)-1-benzofuran-3-yl]methoxy]-1H-indole-2-carboxylic acid
CID 172813535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 172723526) is 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is C[C@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccccc56)cccc4[nH]3)CC2)CC[C@@H]1O.NC1CCN(CCN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is GVKKFOYUPBGGOJ-PAILKBBZSA-N. The full InChI is InChI=1S/C31H38N4O4.C12H25N3O/c1-21-18-35(14-11-28(21)36)16-15-34-12-9-23(10-13-34)32-31(37)27-17-25-26(33-27)6-4-8-30(25)39-20-22-19-38-29-7-3-2-5-24(22)29;13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15/h2-8,17,19,21,23,28,33,36H,9-16,18,20H2,1H3,(H,32,37);11-12,16H,1-10,13H2/t21-,28-;/m0./s1.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 758.02 g/mol, XLogP of 4.26, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 172723526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).