N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C20H24FN3O3 — CID 42649258

IUPACN-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H24FN3O3/c21-15-1-5-17(6-2-15)24-12-14(11-18(24)25)20(27)23-9-7-13(8-10-23)19(26)22-16-3-4-16/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,22,26)
InChIKeyMMNJQCKHCCEZOW-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.70
Rot. Bonds4

About N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 42649258) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID42649258
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H24FN3O3/c21-15-1-5-17(6-2-15)24-12-14(11-18(24)25)20(27)23-9-7-13(8-10-23)19(26)22-16-3-4-16/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,22,26)
InChIKeyMMNJQCKHCCEZOW-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480294
N-(3,5-difluorophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118809
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
(4R)-1-(4-fluorophenyl)-4-[(3S)-3-(4-fluorophenyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 99979673
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 42649258) is N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)C2CC(=O)N(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is MMNJQCKHCCEZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-15-1-5-17(6-2-15)24-12-14(11-18(24)25)20(27)23-9-7-13(8-10-23)19(26)22-16-3-4-16/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,22,26).
What are the key properties of N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42649258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).