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

C21H23Cl2N3O2 — CID 119307611

IUPACN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1CCCNC1
InChIInChI=1S/C21H22ClN3O2.ClH/c22-17-6-5-15-10-20(26)25(19(15)11-17)13-14-3-7-18(8-4-14)24-21(27)16-2-1-9-23-12-16;/h3-8,11,16,23H,1-2,9-10,12-13H2,(H,24,27);1H
InChIKeyFTOMZYOKIDUTJN-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.79
Rot. Bonds4

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

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119307611) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119307611
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1CCCNC1
InChIInChI=1S/C21H22ClN3O2.ClH/c22-17-6-5-15-10-20(26)25(19(15)11-17)13-14-3-7-18(8-4-14)24-21(27)16-2-1-9-23-12-16;/h3-8,11,16,23H,1-2,9-10,12-13H2,(H,24,27);1H
InChIKeyFTOMZYOKIDUTJN-UHFFFAOYSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119307611) is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)C1CCCNC1.
What is the InChIKey of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is FTOMZYOKIDUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2.ClH/c22-17-6-5-15-10-20(26)25(19(15)11-17)13-14-3-7-18(8-4-14)24-21(27)16-2-1-9-23-12-16;/h3-8,11,16,23H,1-2,9-10,12-13H2,(H,24,27);1H.
What are the key properties of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 420.34 g/mol, XLogP of 3.79, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 119307611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).