N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide

C19H27N3O2 — CID 56822120

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCC(c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(21-12-5-2-6-13-21)9-11-20-19(24)22-14-10-17(15-22)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)
InChIKeyANMKFMLSAZRTOD-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.59
Rot. Bonds4

About N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide

N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide (PubChem CID 56822120) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide
PubChem CID56822120
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCC(c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C19H27N3O2/c23-18(21-12-5-2-6-13-21)9-11-20-19(24)22-14-10-17(15-22)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24)
InChIKeyANMKFMLSAZRTOD-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide (CID 56822120) is N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide is O=C(CCNC(=O)N1CCC(c2ccccc2)C1)N1CCCCC1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is ANMKFMLSAZRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(21-12-5-2-6-13-21)9-11-20-19(24)22-14-10-17(15-22)16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,20,24).
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 56822120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).