(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H24F3N3O — CID 120950751

IUPAC(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1CCN(CCN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C14H24F3N3O/c1-10-2-4-19(5-3-10)6-7-20-8-11(13(18)21)12(9-20)14(15,16)17/h10-12H,2-9H2,1H3,(H2,18,21)/t11-,12-/m1/s1
InChIKeyBQDUUQPPFIJXAY-VXGBXAGGSA-N
MW307.36 g/mol
LogP1.31
Rot. Bonds4

About (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120950751) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120950751
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1CCN(CCN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1
InChIInChI=1S/C14H24F3N3O/c1-10-2-4-19(5-3-10)6-7-20-8-11(13(18)21)12(9-20)14(15,16)17/h10-12H,2-9H2,1H3,(H2,18,21)/t11-,12-/m1/s1
InChIKeyBQDUUQPPFIJXAY-VXGBXAGGSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120950751) is (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1CCN(CCN2C[C@@H](C(F)(F)F)[C@H](C(N)=O)C2)CC1.
What is the InChIKey of (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BQDUUQPPFIJXAY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-10-2-4-19(5-3-10)6-7-20-8-11(13(18)21)12(9-20)14(15,16)17/h10-12H,2-9H2,1H3,(H2,18,21)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120950751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).