methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)

C17H30F6N4O2 — CID 161201486

IUPACmethane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)
SMILESC.O=C(NCC(F)(F)F)[C@H]1CCCNC1.O=C(NCC(F)(F)F)[C@H]1CCCNC1
InChIInChI=1S/2C8H13F3N2O.CH4/c2*9-8(10,11)5-13-7(14)6-2-1-3-12-4-6;/h2*6,12H,1-5H2,(H,13,14);1H4/t2*6-;/m00./s1
InChIKeyUVANVTFSYODIPD-UAIGZDOSSA-N
MW436.44 g/mol
LogP1.97
Rot. Bonds4

About methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)

methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide) (PubChem CID 161201486) has the molecular formula C17H30F6N4O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide).

Molecular Properties

Compound Namemethane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)
PubChem CID161201486
Molecular FormulaC17H30F6N4O2
Molecular Weight436.44 g/mol
Exact Mass436.23
IUPAC Namemethane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)
SMILESC.O=C(NCC(F)(F)F)[C@H]1CCCNC1.O=C(NCC(F)(F)F)[C@H]1CCCNC1
InChIInChI=1S/2C8H13F3N2O.CH4/c2*9-8(10,11)5-13-7(14)6-2-1-3-12-4-6;/h2*6,12H,1-5H2,(H,13,14);1H4/t2*6-;/m00./s1
InChIKeyUVANVTFSYODIPD-UAIGZDOSSA-N
XLogP1.97
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(cyclopropylcarbonyl)-N-(2,2,2-trifluoroethyl)-1,4'-bipiperidine-3-carboxamide
CID 45203001
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595659
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 24701618
(3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 28197261
N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595673
Piperidin-3-yl-[2-(trifluoromethyl)piperidin-1-yl]methanone
CID 69173389
(3-Fluoropiperidin-1-yl)(piperidin-3-yl)methanone
CID 69185737
N,N-diethyl-4,4-difluoropiperidine-3-carboxamide
CID 70879127
N-(2,2-difluoroethyl)piperidine-3-carboxamide
CID 81433865
(3S)-N-(2,2-difluoroethyl)piperidine-3-carboxamide
CID 115406934
N-ethyl-4,4-difluoropiperidine-3-carboxamide
CID 130677217
5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 140792818

Frequently Asked Questions

What is the IUPAC name of methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)?
The IUPAC name of methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide) (CID 161201486) is methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide).
What is the SMILES notation for methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)?
The canonical SMILES for methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide) is C.O=C(NCC(F)(F)F)[C@H]1CCCNC1.O=C(NCC(F)(F)F)[C@H]1CCCNC1.
What is the InChIKey of methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)?
The InChIKey is UVANVTFSYODIPD-UAIGZDOSSA-N. The full InChI is InChI=1S/2C8H13F3N2O.CH4/c2*9-8(10,11)5-13-7(14)6-2-1-3-12-4-6;/h2*6,12H,1-5H2,(H,13,14);1H4/t2*6-;/m00./s1.
What are the key properties of methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide)?
methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide) has a molecular weight of 436.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis((3S)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide) is sourced from PubChem (CID 161201486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).