N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C19H21F3N4O2 — CID 24791566

IUPACN-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H21F3N4O2/c1-25(12-16-7-8-23-24-16)18(28)14-5-6-17(27)26(11-14)10-13-3-2-4-15(9-13)19(20,21)22/h2-4,7-9,14H,5-6,10-12H2,1H3,(H,23,24)
InChIKeyIQTYFCZCQXOMCJ-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24791566) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24791566
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H21F3N4O2/c1-25(12-16-7-8-23-24-16)18(28)14-5-6-17(27)26(11-14)10-13-3-2-4-15(9-13)19(20,21)22/h2-4,7-9,14H,5-6,10-12H2,1H3,(H,23,24)
InChIKeyIQTYFCZCQXOMCJ-UHFFFAOYSA-N
XLogP2.83
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
1-(2-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}ethyl)piperidine-3-carboxamide
CID 16191029
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790850
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
{1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 24793881
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 24818868
1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 162644837
4-[[4-fluoro-3-[4-(1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-5,6,7,8-tetrahydro-4H-phthalazin-1-one
CID 124221356
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138612
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140747
(2S,4R)-1-acetyl-4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-[3-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167188575

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24791566) is N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccn[nH]1)C(=O)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is IQTYFCZCQXOMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-25(12-16-7-8-23-24-16)18(28)14-5-6-17(27)26(11-14)10-13-3-2-4-15(9-13)19(20,21)22/h2-4,7-9,14H,5-6,10-12H2,1H3,(H,23,24).
What are the key properties of N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).