(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide

C19H27N3O3 — CID 92729051

IUPAC(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-3-11-20-18(24)15-6-5-12-22(13-15)19(25)14-7-9-16(10-8-14)21-17(23)4-2/h7-10,15H,3-6,11-13H2,1-2H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyHUKHEMLNUDHBEM-OAHLLOKOSA-N
MW345.44 g/mol
LogP2.41
Rot. Bonds6

About (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide

(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide (PubChem CID 92729051) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
PubChem CID92729051
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-3-11-20-18(24)15-6-5-12-22(13-15)19(25)14-7-9-16(10-8-14)21-17(23)4-2/h7-10,15H,3-6,11-13H2,1-2H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyHUKHEMLNUDHBEM-OAHLLOKOSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3S)-1-[4-(propanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92728966
1-[4-(butanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 50827281
1-[4-(butanoylamino)benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50827451
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55951069
(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 92728970
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide (CID 92729051) is (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)CC)cc2)C1.
What is the InChIKey of (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is HUKHEMLNUDHBEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-11-20-18(24)15-6-5-12-22(13-15)19(25)14-7-9-16(10-8-14)21-17(23)4-2/h7-10,15H,3-6,11-13H2,1-2H3,(H,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 92729051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).