N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide

C15H20Cl2N2O2 — CID 139439837

IUPACN-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1CNC(=O)C1CCN(C)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-19-5-3-10(4-6-19)15(20)18-9-11-7-12(16)13(17)8-14(11)21-2/h7-8,10H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyGCDSMJMWEKTCAH-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.96
Rot. Bonds4

About N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide

N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 139439837) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
PubChem CID139439837
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1CNC(=O)C1CCN(C)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-19-5-3-10(4-6-19)15(20)18-9-11-7-12(16)13(17)8-14(11)21-2/h7-8,10H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyGCDSMJMWEKTCAH-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 144720389
N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 158921013
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
1,1-dioxo-N-[(2,4,5-trimethoxyphenyl)methyl]thiolane-3-carboxamide
CID 18090481
(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97192797
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 126363982

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide (CID 139439837) is N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide is COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCN(C)CC1.
What is the InChIKey of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is GCDSMJMWEKTCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-19-5-3-10(4-6-19)15(20)18-9-11-7-12(16)13(17)8-14(11)21-2/h7-8,10H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide?
N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 139439837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).