2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride

C20H30ClN3O3 — CID 119464682

IUPAC2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C2C(C(=O)NCC3CCCNC3)CCC(=O)N2C)cc1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-23-18(24)10-9-17(19(23)15-5-7-16(26-2)8-6-15)20(25)22-13-14-4-3-11-21-12-14;/h5-8,14,17,19,21H,3-4,9-13H2,1-2H3,(H,22,25);1H
InChIKeyOQHYSYPRRXDCRL-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.14
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride

2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119464682) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119464682
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(C2C(C(=O)NCC3CCCNC3)CCC(=O)N2C)cc1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-23-18(24)10-9-17(19(23)15-5-7-16(26-2)8-6-15)20(25)22-13-14-4-3-11-21-12-14;/h5-8,14,17,19,21H,3-4,9-13H2,1-2H3,(H,22,25);1H
InChIKeyOQHYSYPRRXDCRL-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 120653334
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 120947049
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 119464682) is 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride is COc1ccc(C2C(C(=O)NCC3CCCNC3)CCC(=O)N2C)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is OQHYSYPRRXDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-23-18(24)10-9-17(19(23)15-5-7-16(26-2)8-6-15)20(25)22-13-14-4-3-11-21-12-14;/h5-8,14,17,19,21H,3-4,9-13H2,1-2H3,(H,22,25);1H.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride?
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119464682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).