N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H19FN4O — CID 51274238

IUPACN-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19FN4O/c18-15-6-2-1-5-14(15)13-20-17(23)22-11-9-21(10-12-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKeyCPEWTAUHYUNYBL-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.25
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 51274238) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID51274238
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19FN4O/c18-15-6-2-1-5-14(15)13-20-17(23)22-11-9-21(10-12-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23)
InChIKeyCPEWTAUHYUNYBL-UHFFFAOYSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
N-[(2-fluorophenyl)methyl]-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975668
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
2-[2-(2-fluorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109000150
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534821
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 51274238) is N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is CPEWTAUHYUNYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-6-2-1-5-14(15)13-20-17(23)22-11-9-21(10-12-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51274238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).