4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

C20H26FN5O2 — CID 91903526

IUPAC4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCCn1nccc1C(=O)NCCC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN5O2/c1-2-26-18(8-12-23-26)19(27)22-11-7-15-9-13-25(14-10-15)20(28)24-17-5-3-16(21)4-6-17/h3-6,8,12,15H,2,7,9-11,13-14H2,1H3,(H,22,27)(H,24,28)
InChIKeyVHONIEWDHWSTTN-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.11
Rot. Bonds6

About 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 91903526) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID91903526
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCCn1nccc1C(=O)NCCC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN5O2/c1-2-26-18(8-12-23-26)19(27)22-11-7-15-9-13-25(14-10-15)20(28)24-17-5-3-16(21)4-6-17/h3-6,8,12,15H,2,7,9-11,13-14H2,1H3,(H,22,27)(H,24,28)
InChIKeyVHONIEWDHWSTTN-UHFFFAOYSA-N
XLogP3.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 91913215
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 91903526) is 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is CCn1nccc1C(=O)NCCC1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is VHONIEWDHWSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-2-26-18(8-12-23-26)19(27)22-11-7-15-9-13-25(14-10-15)20(28)24-17-5-3-16(21)4-6-17/h3-6,8,12,15H,2,7,9-11,13-14H2,1H3,(H,22,27)(H,24,28).
What are the key properties of 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91903526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).