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

C20H27ClN2O — CID 119715963

IUPACN-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc2ccccc2c1)C1CCNCC1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-14-16-6-7-18-4-2-3-5-19(18)13-16;/h2-7,13,15,17,21H,8-12,14H2,1H3,(H,22,23);1H
InChIKeyKHWOMGDKTZLNRF-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.90
Rot. Bonds5

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

N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119715963) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119715963
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc2ccccc2c1)C1CCNCC1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-14-16-6-7-18-4-2-3-5-19(18)13-16;/h2-7,13,15,17,21H,8-12,14H2,1H3,(H,22,23);1H
InChIKeyKHWOMGDKTZLNRF-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119715963) is N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCc1ccc2ccccc2c1)C1CCNCC1.Cl.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is KHWOMGDKTZLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-15(17-8-10-21-11-9-17)12-20(23)22-14-16-6-7-18-4-2-3-5-19(18)13-16;/h2-7,13,15,17,21H,8-12,14H2,1H3,(H,22,23);1H.
What are the key properties of N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119715963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).