N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide

C21H28N2O — CID 119732891

IUPACN-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1ccc2ccccc2c1)C1CCNCC1
InChIInChI=1S/C21H28N2O/c1-16(18-9-11-22-12-10-18)14-21(24)23-13-8-17-6-7-19-4-2-3-5-20(19)15-17/h2-7,15-16,18,22H,8-14H2,1H3,(H,23,24)
InChIKeyGLGMPHGENFNEPH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.52
Rot. Bonds6

About N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide

N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide (PubChem CID 119732891) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
PubChem CID119732891
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1ccc2ccccc2c1)C1CCNCC1
InChIInChI=1S/C21H28N2O/c1-16(18-9-11-22-12-10-18)14-21(24)23-13-8-17-6-7-19-4-2-3-5-20(19)15-17/h2-7,15-16,18,22H,8-14H2,1H3,(H,23,24)
InChIKeyGLGMPHGENFNEPH-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119681420
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide (CID 119732891) is N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCc1ccc2ccccc2c1)C1CCNCC1.
What is the InChIKey of N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide?
The InChIKey is GLGMPHGENFNEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(18-9-11-22-12-10-18)14-21(24)23-13-8-17-6-7-19-4-2-3-5-20(19)15-17/h2-7,15-16,18,22H,8-14H2,1H3,(H,23,24).
What are the key properties of N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide?
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide has a molecular weight of 324.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119732891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).