N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide

C21H28N2O — CID 119687832

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)Cc1ccc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C21H28N2O/c1-16(20-8-5-11-22-14-20)12-21(24)23(2)15-17-9-10-18-6-3-4-7-19(18)13-17/h3-4,6-7,9-10,13,16,20,22H,5,8,11-12,14-15H2,1-2H3
InChIKeyPLIKOPQSQJAGHU-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.82
Rot. Bonds5

About N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide

N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide (PubChem CID 119687832) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
PubChem CID119687832
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)Cc1ccc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C21H28N2O/c1-16(20-8-5-11-22-14-20)12-21(24)23(2)15-17-9-10-18-6-3-4-7-19(18)13-17/h3-4,6-7,9-10,13,16,20,22H,5,8,11-12,14-15H2,1-2H3
InChIKeyPLIKOPQSQJAGHU-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119759988
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide (CID 119687832) is N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C)Cc1ccc2ccccc2c1)C1CCCNC1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is PLIKOPQSQJAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(20-8-5-11-22-14-20)12-21(24)23(2)15-17-9-10-18-6-3-4-7-19(18)13-17/h3-4,6-7,9-10,13,16,20,22H,5,8,11-12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide?
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 324.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119687832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).