1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide

C19H25F2N3O3 — CID 120575970

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCCN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H25F2N3O3/c1-12-14(7-4-10-22-12)23-17(25)15-8-5-11-24(15)18(26)13-6-2-3-9-16(13)27-19(20)21/h2-3,6,9,12,14-15,19,22H,4-5,7-8,10-11H2,1H3,(H,23,25)
InChIKeyBWBMGAGFDAVEQX-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 120575970) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
PubChem CID120575970
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCCN1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C19H25F2N3O3/c1-12-14(7-4-10-22-12)23-17(25)15-8-5-11-24(15)18(26)13-6-2-3-9-16(13)27-19(20)21/h2-3,6,9,12,14-15,19,22H,4-5,7-8,10-11H2,1H3,(H,23,25)
InChIKeyBWBMGAGFDAVEQX-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 86997540
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119477060
N-[(2S)-1-aminopropan-2-yl]-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 120507145
1-[2-(difluoromethoxy)benzoyl]-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 120830326
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
N-(3-cyclopentylpropyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 78883609
[1-[2-(difluoromethoxy)benzoyl]pyrrolidin-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 138995269
1-[2-(difluoromethoxy)benzoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 112830739
1-[2-(difluoromethoxy)benzoyl]-N-[2-(1H-indol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 138999726
4-[[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]-methylamino]butanoic acid
CID 119173387
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide (CID 120575970) is 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide is CC1NCCCC1NC(=O)C1CCCN1C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is BWBMGAGFDAVEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-12-14(7-4-10-22-12)23-17(25)15-8-5-11-24(15)18(26)13-6-2-3-9-16(13)27-19(20)21/h2-3,6,9,12,14-15,19,22H,4-5,7-8,10-11H2,1H3,(H,23,25).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120575970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).