1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide

C18H22FN5O2 — CID 70729694

IUPAC1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCc2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C18H22FN5O2/c19-15-2-1-3-16(8-15)24-11-13(10-22-24)9-21-17(25)12-23-6-4-14(5-7-23)18(20)26/h1-3,8,10-11,14H,4-7,9,12H2,(H2,20,26)(H,21,25)
InChIKeyCOVCMJDQFYKLDA-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.82
Rot. Bonds6

About 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 70729694) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID70729694
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCc2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C18H22FN5O2/c19-15-2-1-3-16(8-15)24-11-13(10-22-24)9-21-17(25)12-23-6-4-14(5-7-23)18(20)26/h1-3,8,10-11,14H,4-7,9,12H2,(H2,20,26)(H,21,25)
InChIKeyCOVCMJDQFYKLDA-UHFFFAOYSA-N
XLogP0.82
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
1-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 16909292
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796668
N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 70729694) is 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NCc2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is COVCMJDQFYKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-15-2-1-3-16(8-15)24-11-13(10-22-24)9-21-17(25)12-23-6-4-14(5-7-23)18(20)26/h1-3,8,10-11,14H,4-7,9,12H2,(H2,20,26)(H,21,25).
What are the key properties of 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70729694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).