N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide

C21H22ClN3O2 — CID 119307604

IUPACN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1CCNCC1
InChIInChI=1S/C21H22ClN3O2/c22-17-4-3-16-11-20(26)25(19(16)12-17)13-14-1-5-18(6-2-14)24-21(27)15-7-9-23-10-8-15/h1-6,12,15,23H,7-11,13H2,(H,24,27)
InChIKeyMPBASYZUNBXJFF-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.37
Rot. Bonds4

About N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 119307604) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
PubChem CID119307604
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1CCNCC1
InChIInChI=1S/C21H22ClN3O2/c22-17-4-3-16-11-20(26)25(19(16)12-17)13-14-1-5-18(6-2-14)24-21(27)15-7-9-23-10-8-15/h1-6,12,15,23H,7-11,13H2,(H,24,27)
InChIKeyMPBASYZUNBXJFF-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307611
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119756087
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95020536
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide
CID 86891775
N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119285120
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
CID 119756405
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
6-chloro-1-prop-2-ynyl-3H-indol-2-one
CID 61344508

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide (CID 119307604) is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1CCNCC1.
What is the InChIKey of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is MPBASYZUNBXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-4-3-16-11-20(26)25(19(16)12-17)13-14-1-5-18(6-2-14)24-21(27)15-7-9-23-10-8-15/h1-6,12,15,23H,7-11,13H2,(H,24,27).
What are the key properties of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide?
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119307604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).