N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide

C17H25N3O2 — CID 119738344

IUPACN-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(=O)Nc1ccccc1)C1CCCNC1
InChIInChI=1S/C17H25N3O2/c1-13(14-6-5-9-18-11-14)10-16(21)19-12-17(22)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOWMIXKKVMMWERZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.77
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide

N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide (PubChem CID 119738344) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
PubChem CID119738344
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(=O)Nc1ccccc1)C1CCCNC1
InChIInChI=1S/C17H25N3O2/c1-13(14-6-5-9-18-11-14)10-16(21)19-12-17(22)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyOWMIXKKVMMWERZ-UHFFFAOYSA-N
XLogP1.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide (CID 119738344) is N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC(=O)Nc1ccccc1)C1CCCNC1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is OWMIXKKVMMWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(14-6-5-9-18-11-14)10-16(21)19-12-17(22)20-15-7-3-2-4-8-15/h2-4,7-8,13-14,18H,5-6,9-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide?
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 303.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119738344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).