(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

C19H29ClN4O2 — CID 97435778

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1
InChIInChI=1S/C19H29ClN4O2/c1-22-8-10-23(11-9-22)13-15-4-3-7-24(14-15)19(25)21-17-12-16(20)5-6-18(17)26-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyXFLXRWOLBOWKBG-OAHLLOKOSA-N
MW380.92 g/mol
LogP2.84
Rot. Bonds4

About (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 97435778) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID97435778
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1
InChIInChI=1S/C19H29ClN4O2/c1-22-8-10-23(11-9-22)13-15-4-3-7-24(14-15)19(25)21-17-12-16(20)5-6-18(17)26-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyXFLXRWOLBOWKBG-OAHLLOKOSA-N
XLogP2.84
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 99747517
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97278510
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
N-(5-chloro-2-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
CID 20907614

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 97435778) is (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XFLXRWOLBOWKBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-22-8-10-23(11-9-22)13-15-4-3-7-24(14-15)19(25)21-17-12-16(20)5-6-18(17)26-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,21,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97435778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).