N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride

C18H29ClN2O — CID 119743630

IUPACN-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(C)cc(N(C)C(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-8-14(2)10-17(9-13)20(4)18(21)11-15(3)16-6-5-7-19-12-16;/h8-10,15-16,19H,5-7,11-12H2,1-4H3;1H
InChIKeyXWEIAKNKTFLSQN-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.71
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride

N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119743630) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119743630
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(C)cc(N(C)C(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13-8-14(2)10-17(9-13)20(4)18(21)11-15(3)16-6-5-7-19-12-16;/h8-10,15-16,19H,5-7,11-12H2,1-4H3;1H
InChIKeyXWEIAKNKTFLSQN-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119893068
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119727174
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119762805
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (CID 119743630) is N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is Cc1cc(C)cc(N(C)C(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XWEIAKNKTFLSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13-8-14(2)10-17(9-13)20(4)18(21)11-15(3)16-6-5-7-19-12-16;/h8-10,15-16,19H,5-7,11-12H2,1-4H3;1H.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119743630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).