N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

C16H26F3N3O2 — CID 97334248

IUPACN-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCN(C2CCCC2)C1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)15(24)6-9-21(10-7-15)14(23)20-12-5-8-22(11-12)13-3-1-2-4-13/h12-13,24H,1-11H2,(H,20,23)/t12-/m0/s1
InChIKeyMDVYQQCEQHFTOQ-LBPRGKRZSA-N
MW349.40 g/mol
LogP2.10
Rot. Bonds2

About N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide

N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334248) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334248
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC NameN-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCN(C2CCCC2)C1)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)15(24)6-9-21(10-7-15)14(23)20-12-5-8-22(11-12)13-3-1-2-4-13/h12-13,24H,1-11H2,(H,20,23)/t12-/m0/s1
InChIKeyMDVYQQCEQHFTOQ-LBPRGKRZSA-N
XLogP2.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334248) is N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(N[C@H]1CCN(C2CCCC2)C1)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is MDVYQQCEQHFTOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c17-16(18,19)15(24)6-9-21(10-7-15)14(23)20-12-5-8-22(11-12)13-3-1-2-4-13/h12-13,24H,1-11H2,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopentylpyrrolidin-3-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).