3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide

C28H33ClN4O2 — CID 22677898

IUPAC3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide
SMILESO=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C28H33ClN4O2/c29-25-18-30-26-17-22(9-10-24(25)26)28(35)33(23-7-3-1-4-8-23)20-27(34)32-15-11-21(12-16-32)19-31-13-5-2-6-14-31/h1,3-4,7-10,17-18,21,30H,2,5-6,11-16,19-20H2
InChIKeyZCGWVACREKNRCX-UHFFFAOYSA-N
MW493.05 g/mol
LogP5.19
Rot. Bonds6

About 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide

3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide (PubChem CID 22677898) has the molecular formula C28H33ClN4O2 and a molecular weight of 493.05 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide
PubChem CID22677898
Molecular FormulaC28H33ClN4O2
Molecular Weight493.05 g/mol
Exact Mass492.23
IUPAC Name3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide
SMILESO=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C28H33ClN4O2/c29-25-18-30-26-17-22(9-10-24(25)26)28(35)33(23-7-3-1-4-8-23)20-27(34)32-15-11-21(12-16-32)19-31-13-5-2-6-14-31/h1,3-4,7-10,17-18,21,30H,2,5-6,11-16,19-20H2
InChIKeyZCGWVACREKNRCX-UHFFFAOYSA-N
XLogP5.19
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide with MolForge

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Related Compounds

[1-[[1-[2-[N-(1H-indole-6-carbonyl)anilino]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl 2,2,2-trifluoroacetate
CID 22677917
3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
CID 69143063
3-chloro-N-[(1S,2R)-2-[[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58714368
N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide
CID 91340383
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
N-[2-(4-formylpiperidin-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide
CID 22570010
3-chloro-N-(2-methoxyphenyl)-N-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-yl)ethylamino]ethyl]-1H-indole-6-carboxamide
CID 22135175
3-methyl-N-[2-oxo-2-[(1-propan-2-ylpiperidin-4-yl)methylamino]ethyl]-N-phenyl-1H-indole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 22134989
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-[(8R,8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 91514049
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
CID 95620326
N-(2-chlorophenyl)-N-[2-oxo-2-[4-(pyridin-2-ylamino)piperidin-1-yl]ethyl]-1H-indole-6-carboxamide
CID 22499424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide (CID 22677898) is 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide is O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccc1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide?
The InChIKey is ZCGWVACREKNRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O2/c29-25-18-30-26-17-22(9-10-24(25)26)28(35)33(23-7-3-1-4-8-23)20-27(34)32-15-11-21(12-16-32)19-31-13-5-2-6-14-31/h1,3-4,7-10,17-18,21,30H,2,5-6,11-16,19-20H2.
What are the key properties of 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide?
3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide has a molecular weight of 493.05 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethyl]-N-phenyl-1H-indole-6-carboxamide is sourced from PubChem (CID 22677898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).