4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

C27H40N4O3 — CID 59600191

IUPAC4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCC3CCCC3)cccc2[nH]1
InChIInChI=1S/C27H40N4O3/c32-22-10-14-31(15-11-22)17-16-30-12-8-21(9-13-30)28-27(33)25-18-23-24(29-25)6-3-7-26(23)34-19-20-4-1-2-5-20/h3,6-7,18,20-22,29,32H,1-2,4-5,8-17,19H2,(H,28,33)
InChIKeyCIBKFDQBZFCVMN-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.39
Rot. Bonds8

About 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 59600191) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID59600191
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCC3CCCC3)cccc2[nH]1
InChIInChI=1S/C27H40N4O3/c32-22-10-14-31(15-11-22)17-16-30-12-8-21(9-13-30)28-27(33)25-18-23-24(29-25)6-3-7-26(23)34-19-20-4-1-2-5-20/h3,6-7,18,20-22,29,32H,1-2,4-5,8-17,19H2,(H,28,33)
InChIKeyCIBKFDQBZFCVMN-UHFFFAOYSA-N
XLogP3.39
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide
CID 143088228
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(cyclobutylmethoxy)-1H-indole-2-carboxylic acid
CID 158124989
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
CID 11442047
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
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-[(3S,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600242
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
CID 160521933
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(3,5-difluorophenoxy)-1H-indole-2-carboxamide
CID 59600234
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
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
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid;N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 158308065

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 59600191) is 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCC3CCCC3)cccc2[nH]1.
What is the InChIKey of 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is CIBKFDQBZFCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c32-22-10-14-31(15-11-22)17-16-30-12-8-21(9-13-30)28-27(33)25-18-23-24(29-25)6-3-7-26(23)34-19-20-4-1-2-5-20/h3,6-7,18,20-22,29,32H,1-2,4-5,8-17,19H2,(H,28,33).
What are the key properties of 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 59600191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).