N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride

C16H26ClF3N2O — CID 154898235

IUPACN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
SMILESCl.O=C(CCC(F)(F)F)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25F3N2O.ClH/c17-16(18,19)8-7-15(22)20-14-10-21(12-3-1-2-4-12)9-13(14)11-5-6-11;/h11-14H,1-10H2,(H,20,22);1H/t13-,14+;/m1./s1
InChIKeyWPAHKCZJIIQFRB-DFQHDRSWSA-N
MW354.84 g/mol
LogP3.52
Rot. Bonds5

About N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride

N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride (PubChem CID 154898235) has the molecular formula C16H26ClF3N2O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
PubChem CID154898235
Molecular FormulaC16H26ClF3N2O
Molecular Weight354.84 g/mol
Exact Mass354.17
IUPAC NameN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride
SMILESCl.O=C(CCC(F)(F)F)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25F3N2O.ClH/c17-16(18,19)8-7-15(22)20-14-10-21(12-3-1-2-4-12)9-13(14)11-5-6-11;/h11-14H,1-10H2,(H,20,22);1H/t13-,14+;/m1./s1
InChIKeyWPAHKCZJIIQFRB-DFQHDRSWSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride (CID 154898235) is N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride is Cl.O=C(CCC(F)(F)F)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride?
The InChIKey is WPAHKCZJIIQFRB-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H25F3N2O.ClH/c17-16(18,19)8-7-15(22)20-14-10-21(12-3-1-2-4-12)9-13(14)11-5-6-11;/h11-14H,1-10H2,(H,20,22);1H/t13-,14+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride?
N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide;hydrochloride is sourced from PubChem (CID 154898235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).