N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C21H29ClN2O — CID 119722521

IUPACN-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCc1cccc2ccccc12)C1CCNCC1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-16(17-9-12-22-13-10-17)15-21(24)23-14-11-19-7-4-6-18-5-2-3-8-20(18)19;/h2-8,16-17,22H,9-15H2,1H3,(H,23,24);1H
InChIKeyAUVXYPDTHNEOCP-UHFFFAOYSA-N
MW360.93 g/mol
LogP3.95
Rot. Bonds6

About N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119722521) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119722521
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC NameN-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCc1cccc2ccccc12)C1CCNCC1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-16(17-9-12-22-13-10-17)15-21(24)23-14-11-19-7-4-6-18-5-2-3-8-20(18)19;/h2-8,16-17,22H,9-15H2,1H3,(H,23,24);1H
InChIKeyAUVXYPDTHNEOCP-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119722521) is N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCc1cccc2ccccc12)C1CCNCC1.Cl.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is AUVXYPDTHNEOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.ClH/c1-16(17-9-12-22-13-10-17)15-21(24)23-14-11-19-7-4-6-18-5-2-3-8-20(18)19;/h2-8,16-17,22H,9-15H2,1H3,(H,23,24);1H.
What are the key properties of N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119722521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).