N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C16H25F3N2O — CID 60559586

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)13-3-1-2-12(8-13)15(22)20-9-11-6-7-21(10-11)14-4-5-14/h11-14H,1-10H2,(H,20,22)
InChIKeyBNRXIWCIADGVAM-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.96
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 60559586) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID60559586
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)13-3-1-2-12(8-13)15(22)20-9-11-6-7-21(10-11)14-4-5-14/h11-14H,1-10H2,(H,20,22)
InChIKeyBNRXIWCIADGVAM-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 60559586) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1CCN(C2CC2)C1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BNRXIWCIADGVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O/c17-16(18,19)13-3-1-2-12(8-13)15(22)20-9-11-6-7-21(10-11)14-4-5-14/h11-14H,1-10H2,(H,20,22).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60559586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).