5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H25N3O3 — CID 110820856

IUPAC5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)N1
InChIInChI=1S/C19H25N3O3/c23-17-8-7-16(21-17)19(25)20-15-10-12-22(13-11-15)18(24)9-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,25)(H,21,23)
InChIKeyQENWTTPWHDUVPE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.00
Rot. Bonds5

About 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110820856) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID110820856
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)N1
InChIInChI=1S/C19H25N3O3/c23-17-8-7-16(21-17)19(25)20-15-10-12-22(13-11-15)18(24)9-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,25)(H,21,23)
InChIKeyQENWTTPWHDUVPE-UHFFFAOYSA-N
XLogP1.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
CID 110821696
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119295776
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119735145
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
CID 120986204

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 110820856) is 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)N1.
What is the InChIKey of 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is QENWTTPWHDUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17-8-7-16(21-17)19(25)20-15-10-12-22(13-11-15)18(24)9-6-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,25)(H,21,23).
What are the key properties of 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110820856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).