4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide

C14H18F3N3O — CID 114697394

IUPAC4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide
SMILESCC1(Nc2ccc(C(N)=O)c(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-13(4-6-19-7-5-13)20-9-2-3-10(12(18)21)11(8-9)14(15,16)17/h2-3,8,19-20H,4-7H2,1H3,(H2,18,21)
InChIKeyPOZCBAHJVRDAJA-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.36
Rot. Bonds3

About 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide

4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide (PubChem CID 114697394) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide
PubChem CID114697394
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide
SMILESCC1(Nc2ccc(C(N)=O)c(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-13(4-6-19-7-5-13)20-9-2-3-10(12(18)21)11(8-9)14(15,16)17/h2-3,8,19-20H,4-7H2,1H3,(H2,18,21)
InChIKeyPOZCBAHJVRDAJA-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502
4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
CID 103354013
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 175939271
2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114697103
4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzamide
CID 43138481
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
CID 115302961
methyl 4-(carbamothioylamino)-2-(trifluoromethyl)benzoate
CID 169356881
4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
CID 80698083
4-[(2,2,3,3-tetramethylcyclopropyl)amino]-2-(trifluoromethyl)benzoic acid
CID 79361520
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 65483189

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide (CID 114697394) is 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide is CC1(Nc2ccc(C(N)=O)c(C(F)(F)F)c2)CCNCC1.
What is the InChIKey of 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide?
The InChIKey is POZCBAHJVRDAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-13(4-6-19-7-5-13)20-9-2-3-10(12(18)21)11(8-9)14(15,16)17/h2-3,8,19-20H,4-7H2,1H3,(H2,18,21).
What are the key properties of 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide?
4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide has a molecular weight of 301.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-4-yl)amino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 114697394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).