N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C19H31ClN2O — CID 119717403

IUPACN-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(C(C)N(C)C(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14-5-7-18(8-6-14)16(3)21(4)19(22)13-15(2)17-9-11-20-12-10-17;/h5-8,15-17,20H,9-13H2,1-4H3;1H
InChIKeyGPYSGGBJUVFESO-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119717403) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119717403
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(C(C)N(C)C(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14-5-7-18(8-6-14)16(3)21(4)19(22)13-15(2)17-9-11-20-12-10-17;/h5-8,15-17,20H,9-13H2,1-4H3;1H
InChIKeyGPYSGGBJUVFESO-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119802438
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60939432
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119717401
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119762815
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727188
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119764793
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877072

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119717403) is N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is Cc1ccc(C(C)N(C)C(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is GPYSGGBJUVFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14-5-7-18(8-6-14)16(3)21(4)19(22)13-15(2)17-9-11-20-12-10-17;/h5-8,15-17,20H,9-13H2,1-4H3;1H.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119717403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).