N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide

C24H28FN5O — CID 25326473

IUPACN-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide
SMILESCc1nn(C)cc1CNC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C24H28FN5O/c1-17-18(16-29(2)28-17)15-26-19-11-13-30(14-12-19)21-9-7-20(8-10-21)27-24(31)22-5-3-4-6-23(22)25/h3-10,16,19,26H,11-15H2,1-2H3,(H,27,31)
InChIKeyZEYKYTPNBSUXAS-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.88
Rot. Bonds6

About N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide

N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide (PubChem CID 25326473) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide
PubChem CID25326473
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide
SMILESCc1nn(C)cc1CNC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C24H28FN5O/c1-17-18(16-29(2)28-17)15-26-19-11-13-30(14-12-19)21-9-7-20(8-10-21)27-24(31)22-5-3-4-6-23(22)25/h3-10,16,19,26H,11-15H2,1-2H3,(H,27,31)
InChIKeyZEYKYTPNBSUXAS-UHFFFAOYSA-N
XLogP3.88
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[4-[4-[(2-phenyltriazol-4-yl)methylamino]piperidin-1-yl]phenyl]benzamide
CID 42473065
N-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-2-fluorobenzamide
CID 45243203
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-fluoro-N-[4-[4-[(1-phenylcyclopropyl)amino]piperidin-1-yl]phenyl]benzamide
CID 42451084
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 126462471
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-fluoro-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 21234816
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide (CID 25326473) is N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide is Cc1nn(C)cc1CNC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1.
What is the InChIKey of N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide?
The InChIKey is ZEYKYTPNBSUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-17-18(16-29(2)28-17)15-26-19-11-13-30(14-12-19)21-9-7-20(8-10-21)27-24(31)22-5-3-4-6-23(22)25/h3-10,16,19,26H,11-15H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide?
N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide has a molecular weight of 421.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 25326473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).