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

C15H21ClN2O — CID 4824476

IUPACN-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-11-4-3-9-18(10-11)12(2)15(19)17-14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyGFPQXNVMDJJGMQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.40
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 4824476) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID4824476
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O/c1-11-4-3-9-18(10-11)12(2)15(19)17-14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyGFPQXNVMDJJGMQ-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
3-[1-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101314
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide (CID 4824476) is N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is GFPQXNVMDJJGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-4-3-9-18(10-11)12(2)15(19)17-14-7-5-13(16)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 280.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 4824476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).