N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride

C19H31ClN2O — CID 119807731

IUPACN-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(2)16-7-9-18(10-8-16)21(4)19(22)12-15(3)17-6-5-11-20-13-17;/h7-10,14-15,17,20H,5-6,11-13H2,1-4H3;1H
InChIKeyODZHQLZRELFJRJ-UHFFFAOYSA-N
MW338.92 g/mol
LogP4.22
Rot. Bonds5

About N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride

N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride (PubChem CID 119807731) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
PubChem CID119807731
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(2)16-7-9-18(10-8-16)21(4)19(22)12-15(3)17-6-5-11-20-13-17;/h7-10,14-15,17,20H,5-6,11-13H2,1-4H3;1H
InChIKeyODZHQLZRELFJRJ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119893068
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
The IUPAC name of N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride (CID 119807731) is N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride is CC(C)c1ccc(N(C)C(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
The InChIKey is ODZHQLZRELFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14(2)16-7-9-18(10-8-16)21(4)19(22)12-15(3)17-6-5-11-20-13-17;/h7-10,14-15,17,20H,5-6,11-13H2,1-4H3;1H.
What are the key properties of N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride?
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119807731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).