N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide

C17H25ClN2O — CID 119705416

IUPACN-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1ccccc1Cl)C1CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-13(14-6-9-19-10-7-14)12-17(21)20-11-8-15-4-2-3-5-16(15)18/h2-5,13-14,19H,6-12H2,1H3,(H,20,21)
InChIKeyUTUCZCXCSIZLBY-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119705416) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119705416
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1ccccc1Cl)C1CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-13(14-6-9-19-10-7-14)12-17(21)20-11-8-15-4-2-3-5-16(15)18/h2-5,13-14,19H,6-12H2,1H3,(H,20,21)
InChIKeyUTUCZCXCSIZLBY-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119741133

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119705416) is N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCc1ccccc1Cl)C1CCNCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is UTUCZCXCSIZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(14-6-9-19-10-7-14)12-17(21)20-11-8-15-4-2-3-5-16(15)18/h2-5,13-14,19H,6-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 308.85 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119705416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).