1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

C19H23FN4O2 — CID 24793924

IUPAC1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C19H23FN4O2/c20-17-6-2-1-5-15(17)13-23-14-16(7-8-18(23)25)19(26)21-9-3-11-24-12-4-10-22-24/h1-2,4-6,10,12,16H,3,7-9,11,13-14H2,(H,21,26)
InChIKeyTUVDNUYLNVUJLR-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.97
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 24793924) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID24793924
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C19H23FN4O2/c20-17-6-2-1-5-15(17)13-23-14-16(7-8-18(23)25)19(26)21-9-3-11-24-12-4-10-22-24/h1-2,4-6,10,12,16H,3,7-9,11,13-14H2,(H,21,26)
InChIKeyTUVDNUYLNVUJLR-UHFFFAOYSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-(2-fluorobenzyl)-3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}propanamide
CID 16190843
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911
1-(2,3-difluorobenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24790064
1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 24791152
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 24793924) is 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1cccn1)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is TUVDNUYLNVUJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-17-6-2-1-5-15(17)13-23-14-16(7-8-18(23)25)19(26)21-9-3-11-24-12-4-10-22-24/h1-2,4-6,10,12,16H,3,7-9,11,13-14H2,(H,21,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).