3-(3-piperidin-3-ylbutanoylamino)benzamide

C16H23N3O2 — CID 81049250

IUPAC3-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1cccc(C(N)=O)c1)C1CCCNC1
InChIInChI=1S/C16H23N3O2/c1-11(13-5-3-7-18-10-13)8-15(20)19-14-6-2-4-12(9-14)16(17)21/h2,4,6,9,11,13,18H,3,5,7-8,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyVVBWJWWRPVXNFX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.75
Rot. Bonds5

About 3-(3-piperidin-3-ylbutanoylamino)benzamide

3-(3-piperidin-3-ylbutanoylamino)benzamide (PubChem CID 81049250) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-piperidin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound Name3-(3-piperidin-3-ylbutanoylamino)benzamide
PubChem CID81049250
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(3-piperidin-3-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1cccc(C(N)=O)c1)C1CCCNC1
InChIInChI=1S/C16H23N3O2/c1-11(13-5-3-7-18-10-13)8-15(20)19-14-6-2-4-12(9-14)16(17)21/h2,4,6,9,11,13,18H,3,5,7-8,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyVVBWJWWRPVXNFX-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-[3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712326
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 119848954
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)benzamide?
The IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)benzamide (CID 81049250) is 3-(3-piperidin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for 3-(3-piperidin-3-ylbutanoylamino)benzamide?
The canonical SMILES for 3-(3-piperidin-3-ylbutanoylamino)benzamide is CC(CC(=O)Nc1cccc(C(N)=O)c1)C1CCCNC1.
What is the InChIKey of 3-(3-piperidin-3-ylbutanoylamino)benzamide?
The InChIKey is VVBWJWWRPVXNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(13-5-3-7-18-10-13)8-15(20)19-14-6-2-4-12(9-14)16(17)21/h2,4,6,9,11,13,18H,3,5,7-8,10H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 3-(3-piperidin-3-ylbutanoylamino)benzamide?
3-(3-piperidin-3-ylbutanoylamino)benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 81049250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).