1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

C17H19FN4O2 — CID 18152701

IUPAC1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H19FN4O2/c1-21-10-8-15(20-21)19-16(23)13-3-2-9-22(11-13)17(24)12-4-6-14(18)7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H,19,20,23)
InChIKeySYCYDONEPKGFHC-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 18152701) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID18152701
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H19FN4O2/c1-21-10-8-15(20-21)19-16(23)13-3-2-9-22(11-13)17(24)12-4-6-14(18)7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H,19,20,23)
InChIKeySYCYDONEPKGFHC-UHFFFAOYSA-N
XLogP2.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
Gsk-5498A
CID 46945384
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 118560393
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
Smo-IN-2
CID 147359459
ethyl {3-[(4-fluorobenzoyl)amino]-1H-pyrazol-1-yl}acetate
CID 5303395
(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
CID 1284329

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide (CID 18152701) is 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is Cn1ccc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is SYCYDONEPKGFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-21-10-8-15(20-21)19-16(23)13-3-2-9-22(11-13)17(24)12-4-6-14(18)7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H,19,20,23).
What are the key properties of 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 18152701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).