(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

C18H22FN5O2 — CID 97151070

IUPAC(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C18H22FN5O2/c19-15-4-1-5-16(7-15)24-10-13(9-22-24)8-21-18(26)14-3-2-6-23(11-14)12-17(20)25/h1,4-5,7,9-10,14H,2-3,6,8,11-12H2,(H2,20,25)(H,21,26)/t14-/m1/s1
InChIKeyOXSRHOQYPFLMTF-CQSZACIVSA-N
MW359.41 g/mol
LogP0.82
Rot. Bonds6

About (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 97151070) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID97151070
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C18H22FN5O2/c19-15-4-1-5-16(7-15)24-10-13(9-22-24)8-21-18(26)14-3-2-6-23(11-14)12-17(20)25/h1,4-5,7,9-10,14H,2-3,6,8,11-12H2,(H2,20,25)(H,21,26)/t14-/m1/s1
InChIKeyOXSRHOQYPFLMTF-CQSZACIVSA-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

N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70729694
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
N-(2-aminoethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916715
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
1-(2-amino-2-oxoethyl)-N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 131897483
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
CID 131941375
N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (CID 97151070) is (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is NC(=O)CN1CCC[C@@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1.
What is the InChIKey of (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is OXSRHOQYPFLMTF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-15-4-1-5-16(7-15)24-10-13(9-22-24)8-21-18(26)14-3-2-6-23(11-14)12-17(20)25/h1,4-5,7,9-10,14H,2-3,6,8,11-12H2,(H2,20,25)(H,21,26)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-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 (3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 97151070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).