[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea

C15H18F3N3O2 — CID 95294540

IUPAC[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-5-3-4-10(8-11)13(22)21-7-2-1-6-12(21)9-20-14(19)23/h3-5,8,12H,1-2,6-7,9H2,(H3,19,20,23)/t12-/m1/s1
InChIKeyZAXLHTXVARMMQG-GFCCVEGCSA-N
MW329.32 g/mol
LogP2.37
Rot. Bonds3

About [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea

[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea (PubChem CID 95294540) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
PubChem CID95294540
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)11-5-3-4-10(8-11)13(22)21-7-2-1-6-12(21)9-20-14(19)23/h3-5,8,12H,1-2,6-7,9H2,(H3,19,20,23)/t12-/m1/s1
InChIKeyZAXLHTXVARMMQG-GFCCVEGCSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
[1-(3,4,5-trifluorobenzoyl)piperidin-2-yl]methylurea
CID 56826500
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
CID 91649837

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea?
The IUPAC name of [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea (CID 95294540) is [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea?
The canonical SMILES for [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea is NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea?
The InChIKey is ZAXLHTXVARMMQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)11-5-3-4-10(8-11)13(22)21-7-2-1-6-12(21)9-20-14(19)23/h3-5,8,12H,1-2,6-7,9H2,(H3,19,20,23)/t12-/m1/s1.
What are the key properties of [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea?
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea has a molecular weight of 329.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 95294540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).