(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C18H22FN5O2 — CID 126423251

IUPAC(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESNC(=O)c1cc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)ccc1F
InChIInChI=1S/C18H22FN5O2/c19-16-6-5-13(12-15(16)17(20)25)22-18(26)24-10-2-1-4-14(24)7-11-23-9-3-8-21-23/h3,5-6,8-9,12,14H,1-2,4,7,10-11H2,(H2,20,25)(H,22,26)/t14-/m1/s1
InChIKeyMZJASSOOFQRCMR-CQSZACIVSA-N
MW359.41 g/mol
LogP2.60
Rot. Bonds5

About (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 126423251) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID126423251
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESNC(=O)c1cc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)ccc1F
InChIInChI=1S/C18H22FN5O2/c19-16-6-5-13(12-15(16)17(20)25)22-18(26)24-10-2-1-4-14(24)7-11-23-9-3-8-21-23/h3,5-6,8-9,12,14H,1-2,4,7,10-11H2,(H2,20,25)(H,22,26)/t14-/m1/s1
InChIKeyMZJASSOOFQRCMR-CQSZACIVSA-N
XLogP2.60
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97453580
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97456362
N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97434742
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
(2R)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97281204

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 126423251) is (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is NC(=O)c1cc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)ccc1F.
What is the InChIKey of (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is MZJASSOOFQRCMR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-16-6-5-13(12-15(16)17(20)25)22-18(26)24-10-2-1-4-14(24)7-11-23-9-3-8-21-23/h3,5-6,8-9,12,14H,1-2,4,7,10-11H2,(H2,20,25)(H,22,26)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126423251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).