N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C17H16ClF3N4O — CID 55351597

IUPACN-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H16ClF3N4O/c18-13-3-1-2-4-14(13)23-16(26)25-9-7-24(8-10-25)15-6-5-12(11-22-15)17(19,20)21/h1-6,11H,7-10H2,(H,23,26)
InChIKeyOSKQCMNPMQJEJD-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.11
Rot. Bonds2

About N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 55351597) has the molecular formula C17H16ClF3N4O and a molecular weight of 384.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID55351597
Molecular FormulaC17H16ClF3N4O
Molecular Weight384.79 g/mol
Exact Mass384.10
IUPAC NameN-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H16ClF3N4O/c18-13-3-1-2-4-14(13)23-16(26)25-9-7-24(8-10-25)15-6-5-12(11-22-15)17(19,20)21/h1-6,11H,7-10H2,(H,23,26)
InChIKeyOSKQCMNPMQJEJD-UHFFFAOYSA-N
XLogP4.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,2,4-triazol-1-yl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 167751484
1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
CID 10044700
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38523304
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55695316
[2-(2-chlorophenyl)cyclopropyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55478642
1-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46042109
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(2,3-dichlorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 26652873
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
cis-(1S,2R)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 51673380
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 55351597) is N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is OSKQCMNPMQJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O/c18-13-3-1-2-4-14(13)23-16(26)25-9-7-24(8-10-25)15-6-5-12(11-22-15)17(19,20)21/h1-6,11H,7-10H2,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 55351597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).