1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide

C24H33F2N3O2 — CID 75455370

IUPAC1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
SMILESCC(C)(C(NC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C24H33F2N3O2/c1-24(2,29-12-3-4-13-29)21(17-9-10-19(25)20(26)14-17)27-22(30)18-6-5-11-28(15-18)23(31)16-7-8-16/h9-10,14,16,18,21H,3-8,11-13,15H2,1-2H3,(H,27,30)
InChIKeyBWYSOYLODGAVTL-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.65
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide (PubChem CID 75455370) has the molecular formula C24H33F2N3O2 and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
PubChem CID75455370
Molecular FormulaC24H33F2N3O2
Molecular Weight433.54 g/mol
Exact Mass433.25
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
SMILESCC(C)(C(NC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C24H33F2N3O2/c1-24(2,29-12-3-4-13-29)21(17-9-10-19(25)20(26)14-17)27-22(30)18-6-5-11-28(15-18)23(31)16-7-8-16/h9-10,14,16,18,21H,3-8,11-13,15H2,1-2H3,(H,27,30)
InChIKeyBWYSOYLODGAVTL-UHFFFAOYSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide
CID 155948209
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
cyclopropyl-[4-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpiperidin-1-yl]methanone
CID 71927640
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719602
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 51923958

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide (CID 75455370) is 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide is CC(C)(C(NC(=O)C1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide?
The InChIKey is BWYSOYLODGAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O2/c1-24(2,29-12-3-4-13-29)21(17-9-10-19(25)20(26)14-17)27-22(30)18-6-5-11-28(15-18)23(31)16-7-8-16/h9-10,14,16,18,21H,3-8,11-13,15H2,1-2H3,(H,27,30).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide is sourced from PubChem (CID 75455370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).