N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide

C19H21F3N4O2 — CID 95558861

IUPACN-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide
SMILESCn1cc(NC(=O)CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H21F3N4O2/c1-25-11-16(9-23-25)24-17(27)12-26-7-3-5-14(10-26)18(28)13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,11,14H,3,5,7,10,12H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyHKBVTAMQZKLYMW-CQSZACIVSA-N
MW394.40 g/mol
LogP2.97
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide

N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide (PubChem CID 95558861) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide
PubChem CID95558861
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide
SMILESCn1cc(NC(=O)CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H21F3N4O2/c1-25-11-16(9-23-25)24-17(27)12-26-7-3-5-14(10-26)18(28)13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,11,14H,3,5,7,10,12H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyHKBVTAMQZKLYMW-CQSZACIVSA-N
XLogP2.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45236227
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45243704
[1-(2-pyridin-2-ylethyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 72906775
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide
CID 92632065
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 32610322
[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45195099
1-[4-[[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 45188337

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide (CID 95558861) is N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide is Cn1cc(NC(=O)CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide?
The InChIKey is HKBVTAMQZKLYMW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25-11-16(9-23-25)24-17(27)12-26-7-3-5-14(10-26)18(28)13-4-2-6-15(8-13)19(20,21)22/h2,4,6,8-9,11,14H,3,5,7,10,12H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide?
N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95558861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).