N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide

C15H21ClN2O — CID 110688285

IUPACN-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c16-14-6-4-13(5-7-14)12-17-15(19)8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,17,19)
InChIKeyCSPJJLIBZHGPBP-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.83
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide

N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide (PubChem CID 110688285) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
PubChem CID110688285
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c16-14-6-4-13(5-7-14)12-17-15(19)8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,17,19)
InChIKeyCSPJJLIBZHGPBP-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46578509
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
3-(azetidin-1-yl)-N-benzylpropanamide;difluoromethane;propane
CID 156875577

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide (CID 110688285) is N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide?
The InChIKey is CSPJJLIBZHGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-6-4-13(5-7-14)12-17-15(19)8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide?
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 280.80 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 110688285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).