N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide

C26H40N4O2 — CID 11442047

IUPACN-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
SMILESCC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12
InChIInChI=1S/C26H40N4O2/c1-20(2)19-32-25-9-7-8-23-22(25)18-24(28-23)26(31)27-21-10-14-30(15-11-21)17-16-29-12-5-3-4-6-13-29/h7-9,18,20-21,28H,3-6,10-17,19H2,1-2H3,(H,27,31)
InChIKeyHIUMAMXYHQPACW-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.27
Rot. Bonds8

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

N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide (PubChem CID 11442047) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
PubChem CID11442047
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC NameN-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
SMILESCC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12
InChIInChI=1S/C26H40N4O2/c1-20(2)19-32-25-9-7-8-23-22(25)18-24(28-23)26(31)27-21-10-14-30(15-11-21)17-16-29-12-5-3-4-6-13-29/h7-9,18,20-21,28H,3-6,10-17,19H2,1-2H3,(H,27,31)
InChIKeyHIUMAMXYHQPACW-UHFFFAOYSA-N
XLogP4.27
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(3,5-difluorophenoxy)-1H-indole-2-carboxamide
CID 59600234
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600191
N-[1-[2-(8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-4-(cyclobutylmethoxy)-1H-indole-2-carboxamide
CID 143088228
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2,4-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 59600225
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
CID 172763054
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
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69030839
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
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide (CID 11442047) is N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide is CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12.
What is the InChIKey of N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide?
The InChIKey is HIUMAMXYHQPACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-20(2)19-32-25-9-7-8-23-22(25)18-24(28-23)26(31)27-21-10-14-30(15-11-21)17-16-29-12-5-3-4-6-13-29/h7-9,18,20-21,28H,3-6,10-17,19H2,1-2H3,(H,27,31).
What are the key properties of N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide?
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 11442047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).