N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C21H29ClN2O — CID 119707667

IUPACN-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1cccc2ccccc12)C1CCCNC1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-16(18-10-6-12-22-14-18)13-21(24)23(2)15-19-9-5-8-17-7-3-4-11-20(17)19;/h3-5,7-9,11,16,18,22H,6,10,12-15H2,1-2H3;1H
InChIKeyBQRYIGCUVMJEFC-UHFFFAOYSA-N
MW360.93 g/mol
LogP4.25
Rot. Bonds5

About N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119707667) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119707667
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1cccc2ccccc12)C1CCCNC1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-16(18-10-6-12-22-14-18)13-21(24)23(2)15-19-9-5-8-17-7-3-4-11-20(17)19;/h3-5,7-9,11,16,18,22H,6,10,12-15H2,1-2H3;1H
InChIKeyBQRYIGCUVMJEFC-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119707667) is N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(C)Cc1cccc2ccccc12)C1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BQRYIGCUVMJEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.ClH/c1-16(18-10-6-12-22-14-18)13-21(24)23(2)15-19-9-5-8-17-7-3-4-11-20(17)19;/h3-5,7-9,11,16,18,22H,6,10,12-15H2,1-2H3;1H.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 4.25, 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-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119707667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).