N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide

C27H29N5O2 — CID 118865652

IUPACN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C27H29N5O2/c33-26(19-5-7-24-25(13-19)30-16-29-24)31-20-6-8-23-21(14-20)22(15-28-23)17-9-11-32(12-10-17)27(34)18-3-1-2-4-18/h5-8,13-18,28H,1-4,9-12H2,(H,29,30)(H,31,33)
InChIKeyXVUTURKYGKDQKV-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.19
Rot. Bonds4

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

N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 118865652) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
PubChem CID118865652
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C27H29N5O2/c33-26(19-5-7-24-25(13-19)30-16-29-24)31-20-6-8-23-21(14-20)22(15-28-23)17-9-11-32(12-10-17)27(34)18-3-1-2-4-18/h5-8,13-18,28H,1-4,9-12H2,(H,29,30)(H,31,33)
InChIKeyXVUTURKYGKDQKV-UHFFFAOYSA-N
XLogP5.19
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
CID 118865696
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 54306354
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75520966
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
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 47069229

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide (CID 118865652) is N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is XVUTURKYGKDQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c33-26(19-5-7-24-25(13-19)30-16-29-24)31-20-6-8-23-21(14-20)22(15-28-23)17-9-11-32(12-10-17)27(34)18-3-1-2-4-18/h5-8,13-18,28H,1-4,9-12H2,(H,29,30)(H,31,33).
What are the key properties of N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide?
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.19, 4 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]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 118865652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).