3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide

C19H29N3O2 — CID 119712067

IUPAC3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-9-21-19(24)15-6-4-8-17(12-15)22-18(23)11-14(2)16-7-5-10-20-13-16/h4,6,8,12,14,16,20H,3,5,7,9-11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDJYVGUZPGXUKJA-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.79
Rot. Bonds7

About 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide

3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide (PubChem CID 119712067) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
PubChem CID119712067
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C19H29N3O2/c1-3-9-21-19(24)15-6-4-8-17(12-15)22-18(23)11-14(2)16-7-5-10-20-13-16/h4,6,8,12,14,16,20H,3,5,7,9-11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDJYVGUZPGXUKJA-UHFFFAOYSA-N
XLogP2.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 119848954
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide?
The IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide (CID 119712067) is 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide?
The canonical SMILES for 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CC(C)C2CCCNC2)c1.
What is the InChIKey of 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide?
The InChIKey is DJYVGUZPGXUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-9-21-19(24)15-6-4-8-17(12-15)22-18(23)11-14(2)16-7-5-10-20-13-16/h4,6,8,12,14,16,20H,3,5,7,9-11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide?
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 2.79, 7 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)-N-propylbenzamide is sourced from PubChem (CID 119712067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).