N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide

C21H26FN5O2 — CID 120930189

IUPACN-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C21H26FN5O2/c22-17-3-1-4-18(15-17)25-19(28)16-5-13-26(14-6-16)20(29)21(7-10-23-11-8-21)27-12-2-9-24-27/h1-4,9,12,15-16,23H,5-8,10-11,13-14H2,(H,25,28)
InChIKeyFXPQHKSMSHSITR-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.98
Rot. Bonds4

About N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide

N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 120930189) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide
PubChem CID120930189
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C21H26FN5O2/c22-17-3-1-4-18(15-17)25-19(28)16-5-13-26(14-6-16)20(29)21(7-10-23-11-8-21)27-12-2-9-24-27/h1-4,9,12,15-16,23H,5-8,10-11,13-14H2,(H,25,28)
InChIKeyFXPQHKSMSHSITR-UHFFFAOYSA-N
XLogP1.98
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
(4-methylphenyl)-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-4-yl]methanone
CID 120926910
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 120932432

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide (CID 120930189) is N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is FXPQHKSMSHSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c22-17-3-1-4-18(15-17)25-19(28)16-5-13-26(14-6-16)20(29)21(7-10-23-11-8-21)27-12-2-9-24-27/h1-4,9,12,15-16,23H,5-8,10-11,13-14H2,(H,25,28).
What are the key properties of N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 120930189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).