N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide

C19H29N3O2 — CID 119719387

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C19H29N3O2/c1-15(17-9-6-10-20-12-17)11-18(23)21-13-19(24)22(2)14-16-7-4-3-5-8-16/h3-5,7-8,15,17,20H,6,9-14H2,1-2H3,(H,21,23)
InChIKeyZQNRAEIBODJVSF-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.79
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119719387) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
PubChem CID119719387
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C19H29N3O2/c1-15(17-9-6-10-20-12-17)11-18(23)21-13-19(24)22(2)14-16-7-4-3-5-8-16/h3-5,7-8,15,17,20H,6,9-14H2,1-2H3,(H,21,23)
InChIKeyZQNRAEIBODJVSF-UHFFFAOYSA-N
XLogP1.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119859518
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide
CID 119821444

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide (CID 119719387) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCCNC1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ZQNRAEIBODJVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(17-9-6-10-20-12-17)11-18(23)21-13-19(24)22(2)14-16-7-4-3-5-8-16/h3-5,7-8,15,17,20H,6,9-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 331.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119719387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).