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

C16H22Cl2N2O — CID 11602353

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)16(21)20(14-5-7-19-8-6-14)10-12-3-4-13(17)9-15(12)18/h3-4,9,11,14,19H,5-8,10H2,1-2H3
InChIKeyVRXDWPPHDDSVMR-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide (PubChem CID 11602353) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
PubChem CID11602353
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)16(21)20(14-5-7-19-8-6-14)10-12-3-4-13(17)9-15(12)18/h3-4,9,11,14,19H,5-8,10H2,1-2H3
InChIKeyVRXDWPPHDDSVMR-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

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenyl)-N-piperidin-4-ylacetamide
CID 10223070
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 44578112
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921
N-[(2,4-dichlorophenyl)methyl]-N-[(1-fluorocyclopropyl)methyl]piperidin-4-amine
CID 58624333
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551541

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide (CID 11602353) is N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide is CC(C)C(=O)N(Cc1ccc(Cl)cc1Cl)C1CCNCC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is VRXDWPPHDDSVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)16(21)20(14-5-7-19-8-6-14)10-12-3-4-13(17)9-15(12)18/h3-4,9,11,14,19H,5-8,10H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide?
N-[(2,4-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-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 11602353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).