N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride

C27H26Cl2N4O3 — CID 22499519

IUPACN-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride
SMILESCl.O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C27H25ClN4O3.ClH/c28-23-3-1-2-4-25(23)32(27(34)20-6-5-19-7-14-30-24(19)17-20)18-26(33)31-15-10-22(11-16-31)35-21-8-12-29-13-9-21;/h1-9,12-14,17,22,30H,10-11,15-16,18H2;1H
InChIKeySCDPEBSNCUFQME-UHFFFAOYSA-N
MW525.44 g/mol
LogP5.35
Rot. Bonds6

About N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride

N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride (PubChem CID 22499519) has the molecular formula C27H26Cl2N4O3 and a molecular weight of 525.44 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride
PubChem CID22499519
Molecular FormulaC27H26Cl2N4O3
Molecular Weight525.44 g/mol
Exact Mass524.14
IUPAC NameN-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride
SMILESCl.O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C27H25ClN4O3.ClH/c28-23-3-1-2-4-25(23)32(27(34)20-6-5-19-7-14-30-24(19)17-20)18-26(33)31-15-10-22(11-16-31)35-21-8-12-29-13-9-21;/h1-9,12-14,17,22,30H,10-11,15-16,18H2;1H
InChIKeySCDPEBSNCUFQME-UHFFFAOYSA-N
XLogP5.35
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride (CID 22499519) is N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride is Cl.O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride?
The InChIKey is SCDPEBSNCUFQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3.ClH/c28-23-3-1-2-4-25(23)32(27(34)20-6-5-19-7-14-30-24(19)17-20)18-26(33)31-15-10-22(11-16-31)35-21-8-12-29-13-9-21;/h1-9,12-14,17,22,30H,10-11,15-16,18H2;1H.
What are the key properties of N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride?
N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride has a molecular weight of 525.44 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]-1H-indole-6-carboxamide;hydrochloride is sourced from PubChem (CID 22499519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).