N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide

C19H29N3O2 — CID 119719399

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C19H29N3O2/c1-15(17-8-10-20-11-9-17)12-18(23)21-13-19(24)22(2)14-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3,(H,21,23)
InChIKeySKBNVTHJKSBYKX-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.79
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119719399) 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-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
PubChem CID119719399
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C19H29N3O2/c1-15(17-8-10-20-11-9-17)12-18(23)21-13-19(24)22(2)14-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3,(H,21,23)
InChIKeySKBNVTHJKSBYKX-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-3-ylbutanamide
CID 119719387
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119849977
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 47173784

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide (CID 119719399) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(=O)N(C)Cc1ccccc1)C1CCNCC1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is SKBNVTHJKSBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(17-8-10-20-11-9-17)12-18(23)21-13-19(24)22(2)14-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-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-4-ylbutanamide is sourced from PubChem (CID 119719399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).