3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

C15H25F3N2O — CID 63140425

IUPAC3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCC2C(F)(F)F)CCNC1
InChIInChI=1S/C15H25F3N2O/c1-2-7-14(8-9-19-10-14)13(21)20-12-6-4-3-5-11(12)15(16,17)18/h11-12,19H,2-10H2,1H3,(H,20,21)
InChIKeyBYHCMKWUGOUZNJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds4

About 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide

3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (PubChem CID 63140425) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
PubChem CID63140425
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCC2C(F)(F)F)CCNC1
InChIInChI=1S/C15H25F3N2O/c1-2-7-14(8-9-19-10-14)13(21)20-12-6-4-3-5-11(12)15(16,17)18/h11-12,19H,2-10H2,1H3,(H,20,21)
InChIKeyBYHCMKWUGOUZNJ-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
CID 106361369
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813514
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
2-[(4-propylpiperidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64815004
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55247011
N-(2-cyclopentyloxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 55261464
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763836
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide (CID 63140425) is 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is CCCC1(C(=O)NC2CCCCC2C(F)(F)F)CCNC1.
What is the InChIKey of 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
The InChIKey is BYHCMKWUGOUZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-2-7-14(8-9-19-10-14)13(21)20-12-6-4-3-5-11(12)15(16,17)18/h11-12,19H,2-10H2,1H3,(H,20,21).
What are the key properties of 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide?
3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).