2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride

C20H21Cl2N3O — CID 131882606

IUPAC2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCC1)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H20ClN3O.ClH/c21-19-18(20(25)22-23-13-7-2-8-14-23)16-11-5-6-12-17(16)24(19)15-9-3-1-4-10-15;/h1,3-6,9-12H,2,7-8,13-14H2,(H,22,25);1H
InChIKeyNOLKMZBTFBHUDO-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.84
Rot. Bonds3

About 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride

2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride (PubChem CID 131882606) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride
PubChem CID131882606
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCC1)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H20ClN3O.ClH/c21-19-18(20(25)22-23-13-7-2-8-14-23)16-11-5-6-12-17(16)24(19)15-9-3-1-4-10-15;/h1,3-6,9-12H,2,7-8,13-14H2,(H,22,25);1H
InChIKeyNOLKMZBTFBHUDO-UHFFFAOYSA-N
XLogP4.84
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide
CID 131882607
(4-benzylpiperazin-1-yl)-(2-chloro-1-phenylindol-3-yl)methanone;hydrochloride
CID 76852601
2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
CID 76852576
1-(2-chloro-1-phenylindol-3-yl)-2-diazoethanone
CID 3909545
2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid
CID 17365802
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832
6-bromo-1-phenyl-N-piperidin-1-ylindazole-3-carboxamide
CID 59169698
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone
CID 118085947
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
N-[3-methoxy-2-(piperidin-1-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 11553171
5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 86271988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride?
The IUPAC name of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride (CID 131882606) is 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride?
The canonical SMILES for 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride is Cl.O=C(NN1CCCCC1)c1c(Cl)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride?
The InChIKey is NOLKMZBTFBHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O.ClH/c21-19-18(20(25)22-23-13-7-2-8-14-23)16-11-5-6-12-17(16)24(19)15-9-3-1-4-10-15;/h1,3-6,9-12H,2,7-8,13-14H2,(H,22,25);1H.
What are the key properties of 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride?
2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride has a molecular weight of 390.31 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 131882606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).