N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide

C15H21ClN2O — CID 110858773

IUPACN-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-18-10-8-12(9-11-18)6-7-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeySMFBMNSAXPTFJD-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.40
Rot. Bonds4

About N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide

N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 110858773) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID110858773
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-18-10-8-12(9-11-18)6-7-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeySMFBMNSAXPTFJD-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
CID 42565370
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
CID 56707250
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
N-(2-chlorophenyl)-2-[(1-methylpyrrolidin-3-yl)amino]acetamide
CID 54950079
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide
CID 45234534
N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26410836
N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
CID 42209722
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide (CID 110858773) is N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide is CN1CCC(CCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is SMFBMNSAXPTFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18-10-8-12(9-11-18)6-7-15(19)17-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide?
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 280.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 110858773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).