N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide

C20H32N2O — CID 119783519

IUPACN-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(C)C(c1ccccc1)N(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C20H32N2O/c1-15(2)20(17-9-6-5-7-10-17)22(4)19(23)13-16(3)18-11-8-12-21-14-18/h5-7,9-10,15-16,18,20-21H,8,11-14H2,1-4H3
InChIKeyGDMPCPYNJRZZSQ-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.87
Rot. Bonds6

About N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide

N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide (PubChem CID 119783519) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
PubChem CID119783519
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(C)C(c1ccccc1)N(C)C(=O)CC(C)C1CCCNC1
InChIInChI=1S/C20H32N2O/c1-15(2)20(17-9-6-5-7-10-17)22(4)19(23)13-16(3)18-11-8-12-21-14-18/h5-7,9-10,15-16,18,20-21H,8,11-14H2,1-4H3
InChIKeyGDMPCPYNJRZZSQ-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide (CID 119783519) is N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide is CC(C)C(c1ccccc1)N(C)C(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide?
The InChIKey is GDMPCPYNJRZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-15(2)20(17-9-6-5-7-10-17)22(4)19(23)13-16(3)18-11-8-12-21-14-18/h5-7,9-10,15-16,18,20-21H,8,11-14H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide?
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide has a molecular weight of 316.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119783519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).