N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide

C16H22Cl2N2O — CID 62211961

IUPACN-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCC1CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-20(11-13-8-14(17)10-15(18)9-13)16(21)3-2-12-4-6-19-7-5-12/h8-10,12,19H,2-7,11H2,1H3
InChIKeyOBHAIDPVLHTHQM-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide

N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide (PubChem CID 62211961) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
PubChem CID62211961
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCC1CCNCC1
InChIInChI=1S/C16H22Cl2N2O/c1-20(11-13-8-14(17)10-15(18)9-13)16(21)3-2-12-4-6-19-7-5-12/h8-10,12,19H,2-7,11H2,1H3
InChIKeyOBHAIDPVLHTHQM-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
CID 54872645
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62212128
N-[(2-methoxyphenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62212494
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63121984
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide (CID 62211961) is N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCC1CCNCC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
The InChIKey is OBHAIDPVLHTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-20(11-13-8-14(17)10-15(18)9-13)16(21)3-2-12-4-6-19-7-5-12/h8-10,12,19H,2-7,11H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).