N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

C23H33N3O2 — CID 113189874

IUPACN-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C23H33N3O2/c27-22-16-18(23(28)24-19-8-4-1-2-5-9-19)17-26(22)21-12-10-20(11-13-21)25-14-6-3-7-15-25/h10-13,18-19H,1-9,14-17H2,(H,24,28)
InChIKeyJSPHRUJLGSPQHR-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.87
Rot. Bonds4

About N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113189874) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113189874
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C23H33N3O2/c27-22-16-18(23(28)24-19-8-4-1-2-5-9-19)17-26(22)21-12-10-20(11-13-21)25-14-6-3-7-15-25/h10-13,18-19H,1-9,14-17H2,(H,24,28)
InChIKeyJSPHRUJLGSPQHR-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
N-cyclooctyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42996336
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 113189874) is N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(NC1CCCCCC1)C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1.
What is the InChIKey of N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is JSPHRUJLGSPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22-16-18(23(28)24-19-8-4-1-2-5-9-19)17-26(22)21-12-10-20(11-13-21)25-14-6-3-7-15-25/h10-13,18-19H,1-9,14-17H2,(H,24,28).
What are the key properties of N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113189874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).