(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate

C25H38N4O3 — CID 69030839

IUPAC(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)Oc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12
InChIInChI=1S/C25H38N4O3/c1-19(2)31-23-9-7-8-22-21(23)18-24(27-22)32-25(30)26-20-10-14-29(15-11-20)17-16-28-12-5-3-4-6-13-28/h7-9,18-20,27H,3-6,10-17H2,1-2H3,(H,26,30)
InChIKeyTYMBSWVEDBWISL-UHFFFAOYSA-N
MW442.60 g/mol
LogP4.38
Rot. Bonds7

About (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate

(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 69030839) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID69030839
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)Oc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12
InChIInChI=1S/C25H38N4O3/c1-19(2)31-23-9-7-8-22-21(23)18-24(27-22)32-25(30)26-20-10-14-29(15-11-20)17-16-28-12-5-3-4-6-13-28/h7-9,18-20,27H,3-6,10-17H2,1-2H3,(H,26,30)
InChIKeyTYMBSWVEDBWISL-UHFFFAOYSA-N
XLogP4.38
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenoxy)-1H-indol-2-yl] N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69028939
[4-(furan-3-ylmethoxy)-1H-indol-2-yl] N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 69032117
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
CID 11442047
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
(2-iodo-1H-indol-4-yl) N-(1-methylpiperidin-4-yl)carbamate
CID 130337842
[4-[(5,6-dimethyl-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
CID 69028140
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2,4-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 59600225
[4-[(7-fluoro-1-benzofuran-3-yl)methoxy]-1H-indol-2-yl] N-[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-4-yl]carbamate;dihydrochloride
CID 69031236
[4-(6-methoxy-3-pyridinyl)-1H-indol-2-yl] N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]carbamate
CID 69030113
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600191

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate (CID 69030839) is (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate is CC(C)Oc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12.
What is the InChIKey of (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is TYMBSWVEDBWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-19(2)31-23-9-7-8-22-21(23)18-24(27-22)32-25(30)26-20-10-14-29(15-11-20)17-16-28-12-5-3-4-6-13-28/h7-9,18-20,27H,3-6,10-17H2,1-2H3,(H,26,30).
What are the key properties of (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate?
(4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 442.60 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxy-1H-indol-2-yl) N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 69030839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).