N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide

C16H22Cl2N2O — CID 11587945

IUPACN-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
SMILESCC(C)C(=O)N(Cc1cccc(Cl)c1Cl)C1CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)16(21)20(13-6-8-19-9-7-13)10-12-4-3-5-14(17)15(12)18/h3-5,11,13,19H,6-10H2,1-2H3
InChIKeyNIOAQGHNSBVJRZ-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide

N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide (PubChem CID 11587945) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
PubChem CID11587945
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
SMILESCC(C)C(=O)N(Cc1cccc(Cl)c1Cl)C1CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)16(21)20(13-6-8-19-9-7-13)10-12-4-3-5-14(17)15(12)18/h3-5,11,13,19H,6-10H2,1-2H3
InChIKeyNIOAQGHNSBVJRZ-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide 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-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
(3S)-N-[(2,3-dichlorophenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69063709
N-[(2,3-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 58624352
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
CID 107311349
(2R)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 27097498

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide (CID 11587945) is N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide is CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)C1CCNCC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is NIOAQGHNSBVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)16(21)20(13-6-8-19-9-7-13)10-12-4-3-5-14(17)15(12)18/h3-5,11,13,19H,6-10H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 11587945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).