(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone

C21H26N4O — CID 53149742

IUPAC(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)nc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H26N4O/c26-21(18-8-9-20(23-16-18)17-5-4-10-22-15-17)25-13-11-24(12-14-25)19-6-2-1-3-7-19/h4-5,8-10,15-16,19H,1-3,6-7,11-14H2
InChIKeyQPETVXIGMZXFTR-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.23
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone

(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (PubChem CID 53149742) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
PubChem CID53149742
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-c2cccnc2)nc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H26N4O/c26-21(18-8-9-20(23-16-18)17-5-4-10-22-15-17)25-13-11-24(12-14-25)19-6-2-1-3-7-19/h4-5,8-10,15-16,19H,1-3,6-7,11-14H2
InChIKeyQPETVXIGMZXFTR-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 29024042
(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone
CID 67214224
[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56903217
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
CID 28954139
(4-cyclohexylpiperazin-1-yl)-[4-[[4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 142395664
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
N-[4-(4-cyclobutyl-1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 11164840
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119059947

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (CID 53149742) is (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is O=C(c1ccc(-c2cccnc2)nc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The InChIKey is QPETVXIGMZXFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(18-8-9-20(23-16-18)17-5-4-10-22-15-17)25-13-11-24(12-14-25)19-6-2-1-3-7-19/h4-5,8-10,15-16,19H,1-3,6-7,11-14H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 53149742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).