N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide

C16H23ClN2O — CID 62210205

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCC1CCCCN1
InChIInChI=1S/C16H23ClN2O/c1-19(12-13-5-4-6-14(17)11-13)16(20)9-8-15-7-2-3-10-18-15/h4-6,11,15,18H,2-3,7-10,12H2,1H3
InChIKeyMLVPRRSMQGAENO-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.22
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide

N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide (PubChem CID 62210205) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
PubChem CID62210205
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CCC1CCCCN1
InChIInChI=1S/C16H23ClN2O/c1-19(12-13-5-4-6-14(17)11-13)16(20)9-8-15-7-2-3-10-18-15/h4-6,11,15,18H,2-3,7-10,12H2,1H3
InChIKeyMLVPRRSMQGAENO-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62480473
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975494
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-benzyl-3-piperidin-2-yl-N-propan-2-ylpropanamide
CID 62212408
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
N-methyl-N-phenyl-3-piperidin-2-ylpropanamide
CID 62211013

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide (CID 62210205) is N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide is CN(Cc1cccc(Cl)c1)C(=O)CCC1CCCCN1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
The InChIKey is MLVPRRSMQGAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19(12-13-5-4-6-14(17)11-13)16(20)9-8-15-7-2-3-10-18-15/h4-6,11,15,18H,2-3,7-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide has a molecular weight of 294.83 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62210205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).