[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C22H27FN4O — CID 109183120

IUPAC[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NC2CCCCC2)cn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H27FN4O/c23-19-8-4-5-9-21(19)26-12-14-27(15-13-26)22(28)20-11-10-18(16-24-20)25-17-6-2-1-3-7-17/h4-5,8-11,16-17,25H,1-3,6-7,12-15H2
InChIKeyFOLZNZDPPUHPQS-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.93
Rot. Bonds4

About [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109183120) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109183120
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NC2CCCCC2)cn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H27FN4O/c23-19-8-4-5-9-21(19)26-12-14-27(15-13-26)22(28)20-11-10-18(16-24-20)25-17-6-2-1-3-7-17/h4-5,8-11,16-17,25H,1-3,6-7,12-15H2
InChIKeyFOLZNZDPPUHPQS-UHFFFAOYSA-N
XLogP3.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Niaprazine
CID 71919
Lgh-447
CID 44814409
Saruparib
CID 155586901
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)-4-(Piperidin-1-Yl)benzamide
CID 52936434
5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
Piperazine carbamate/urea derivative 3
CID 89487899
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide
CID 69090096

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109183120) is [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(NC2CCCCC2)cn1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FOLZNZDPPUHPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c23-19-8-4-5-9-21(19)26-12-14-27(15-13-26)22(28)20-11-10-18(16-24-20)25-17-6-2-1-3-7-17/h4-5,8-11,16-17,25H,1-3,6-7,12-15H2.
What are the key properties of [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109183120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).