N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride

C20H21ClF3N3O2 — CID 119305471

IUPACN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C20H20F3N3O2.ClH/c21-20(22,23)14-4-3-5-15(12-14)25-19(28)16-6-1-2-7-17(16)26-18(27)13-8-10-24-11-9-13;/h1-7,12-13,24H,8-11H2,(H,25,28)(H,26,27);1H
InChIKeyOKHXSSATCWQPEG-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.32
Rot. Bonds4

About N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride

N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119305471) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119305471
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCNCC1
InChIInChI=1S/C20H20F3N3O2.ClH/c21-20(22,23)14-4-3-5-15(12-14)25-19(28)16-6-1-2-7-17(16)26-18(27)13-8-10-24-11-9-13;/h1-7,12-13,24H,8-11H2,(H,25,28)(H,26,27);1H
InChIKeyOKHXSSATCWQPEG-UHFFFAOYSA-N
XLogP4.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
CID 56593308
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119305471) is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCNCC1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is OKHXSSATCWQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2.ClH/c21-20(22,23)14-4-3-5-15(12-14)25-19(28)16-6-1-2-7-17(16)26-18(27)13-8-10-24-11-9-13;/h1-7,12-13,24H,8-11H2,(H,25,28)(H,26,27);1H.
What are the key properties of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 427.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119305471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).