(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide

C16H20F4N4O2 — CID 125173766

IUPAC(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C16H20F4N4O2/c17-12-4-3-11(16(18,19)20)8-13(12)23-15(26)22-5-7-24-6-1-2-10(9-24)14(21)25/h3-4,8,10H,1-2,5-7,9H2,(H2,21,25)(H2,22,23,26)/t10-/m1/s1
InChIKeyCWYBDNHQDFXPIC-SNVBAGLBSA-N
MW376.35 g/mol
LogP2.16
Rot. Bonds5

About (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide

(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide (PubChem CID 125173766) has the molecular formula C16H20F4N4O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
PubChem CID125173766
Molecular FormulaC16H20F4N4O2
Molecular Weight376.35 g/mol
Exact Mass376.15
IUPAC Name(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C16H20F4N4O2/c17-12-4-3-11(16(18,19)20)8-13(12)23-15(26)22-5-7-24-6-1-2-10(9-24)14(21)25/h3-4,8,10H,1-2,5-7,9H2,(H2,21,25)(H2,22,23,26)/t10-/m1/s1
InChIKeyCWYBDNHQDFXPIC-SNVBAGLBSA-N
XLogP2.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 97438336
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
CID 95155929
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
N-[4-fluoro-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]propanamide
CID 97438260
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(3S)-1-[2-[(4-methyl-3-oxo-1,4-benzoxazin-7-yl)carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125438522
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide (CID 125173766) is (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1.
What is the InChIKey of (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is CWYBDNHQDFXPIC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20F4N4O2/c17-12-4-3-11(16(18,19)20)8-13(12)23-15(26)22-5-7-24-6-1-2-10(9-24)14(21)25/h3-4,8,10H,1-2,5-7,9H2,(H2,21,25)(H2,22,23,26)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide?
(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 376.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 125173766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).