N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide

C27H31N3O3 — CID 118865696

IUPACN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1)c1ccc(CO)cc1
InChIInChI=1S/C27H31N3O3/c31-17-18-5-7-20(8-6-18)26(32)29-22-9-10-25-23(15-22)24(16-28-25)19-11-13-30(14-12-19)27(33)21-3-1-2-4-21/h5-10,15-16,19,21,28,31H,1-4,11-14,17H2,(H,29,32)
InChIKeyGPNLGDKQNONXSZ-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.81
Rot. Bonds5

About N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide

N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide (PubChem CID 118865696) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
PubChem CID118865696
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1)c1ccc(CO)cc1
InChIInChI=1S/C27H31N3O3/c31-17-18-5-7-20(8-6-18)26(32)29-22-9-10-25-23(15-22)24(16-28-25)19-11-13-30(14-12-19)27(33)21-3-1-2-4-21/h5-10,15-16,19,21,28,31H,1-4,11-14,17H2,(H,29,32)
InChIKeyGPNLGDKQNONXSZ-UHFFFAOYSA-N
XLogP4.81
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
CID 118865652
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881551
N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide
CID 54567819
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
4-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzenecarbothioamide
CID 140998243
1-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1H-indol-5-yl]-3-(3-phenylpropyl)urea
CID 67676187
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide (CID 118865696) is N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide is O=C(Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1)c1ccc(CO)cc1.
What is the InChIKey of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide?
The InChIKey is GPNLGDKQNONXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c31-17-18-5-7-20(8-6-18)26(32)29-22-9-10-25-23(15-22)24(16-28-25)19-11-13-30(14-12-19)27(33)21-3-1-2-4-21/h5-10,15-16,19,21,28,31H,1-4,11-14,17H2,(H,29,32).
What are the key properties of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide?
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide has a molecular weight of 445.56 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 118865696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).