(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H21F3N2O — CID 81129178

IUPAC(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H21F3N2O/c1-9(10-4-5-10)18(8-13(14,15)16)12(19)11-3-2-6-17-7-11/h9-11,17H,2-8H2,1H3/t9?,11-/m0/s1
InChIKeyOBALDXWSRRTRHX-UMJHXOGRSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds4

About (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 81129178) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID81129178
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H21F3N2O/c1-9(10-4-5-10)18(8-13(14,15)16)12(19)11-3-2-6-17-7-11/h9-11,17H,2-8H2,1H3/t9?,11-/m0/s1
InChIKeyOBALDXWSRRTRHX-UMJHXOGRSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81129096
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
(3S)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81129896
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54870149
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81133973
2-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 55036006
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
N-(1-cyclopropylethyl)-4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428415
N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83071498
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
CID 61162075

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 81129178) is (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is OBALDXWSRRTRHX-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9(10-4-5-10)18(8-13(14,15)16)12(19)11-3-2-6-17-7-11/h9-11,17H,2-8H2,1H3/t9?,11-/m0/s1.
What are the key properties of (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).