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

C28H36Cl4N4O4 — CID 158921013

IUPACN-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1.COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1
InChIInChI=1S/2C14H18Cl2N2O2/c2*1-20-13-7-12(16)11(15)6-10(13)8-18-14(19)9-2-4-17-5-3-9/h2*6-7,9,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyJHVHUBQHAUVGKN-UHFFFAOYSA-N
MW634.43 g/mol
LogP5.24
Rot. Bonds8

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

N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 158921013) has the molecular formula C28H36Cl4N4O4 and a molecular weight of 634.43 g/mol. Its IUPAC name is N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID158921013
Molecular FormulaC28H36Cl4N4O4
Molecular Weight634.43 g/mol
Exact Mass632.15
IUPAC NameN-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1.COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1
InChIInChI=1S/2C14H18Cl2N2O2/c2*1-20-13-7-12(16)11(15)6-10(13)8-18-14(19)9-2-4-17-5-3-9/h2*6-7,9,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyJHVHUBQHAUVGKN-UHFFFAOYSA-N
XLogP5.24
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.43
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-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-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 139439837
N-[(4,5-dichloro-2-methoxyphenyl)methyl]-1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 144720389
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
CID 166237713
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 158921013) is N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1.COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1.
What is the InChIKey of N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JHVHUBQHAUVGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18Cl2N2O2/c2*1-20-13-7-12(16)11(15)6-10(13)8-18-14(19)9-2-4-17-5-3-9/h2*6-7,9,17H,2-5,8H2,1H3,(H,18,19).
What are the key properties of N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 634.43 g/mol, XLogP of 5.24, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 158921013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).