N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide

C17H25ClN2O — CID 119685524

IUPACN-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-12(14-7-9-19-10-8-14)11-17(21)20-13(2)15-3-5-16(18)6-4-15/h3-6,12-14,19H,7-11H2,1-2H3,(H,20,21)
InChIKeyOLNDTAYBRWVCBR-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide

N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119685524) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119685524
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-12(14-7-9-19-10-8-14)11-17(21)20-13(2)15-3-5-16(18)6-4-15/h3-6,12-14,19H,7-11H2,1-2H3,(H,20,21)
InChIKeyOLNDTAYBRWVCBR-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-piperidin-4-ylbutanamide
CID 119721978
N-[1-[4-(methylsulfamoyl)phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119750157
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 81355328
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119685524) is N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide is CC(NC(=O)CC(C)C1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OLNDTAYBRWVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(14-7-9-19-10-8-14)11-17(21)20-13(2)15-3-5-16(18)6-4-15/h3-6,12-14,19H,7-11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 308.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119685524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).