[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

C26H40N4O — CID 26276510

IUPAC[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCC(NCCC4=CCCCC4)CC3)cc2)CC1
InChIInChI=1S/C26H40N4O/c1-2-28-18-20-30(21-19-28)26(31)23-8-10-25(11-9-23)29-16-13-24(14-17-29)27-15-12-22-6-4-3-5-7-22/h6,8-11,24,27H,2-5,7,12-21H2,1H3
InChIKeyJCINGYBYJJSRAQ-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.91
Rot. Bonds7

About [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 26276510) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID26276510
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC Name[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCC(NCCC4=CCCCC4)CC3)cc2)CC1
InChIInChI=1S/C26H40N4O/c1-2-28-18-20-30(21-19-28)26(31)23-8-10-25(11-9-23)29-16-13-24(14-17-29)27-15-12-22-6-4-3-5-7-22/h6,8-11,24,27H,2-5,7,12-21H2,1H3
InChIKeyJCINGYBYJJSRAQ-UHFFFAOYSA-N
XLogP3.91
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109045001
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 42278318
4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26402975
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044848
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109014810
[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 42484509
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 124845202
(4-ethylpiperazin-1-yl)-[4-[4-[[(1R)-1-[(5R,7R)-3-hydroxy-1-adamantyl]ethyl]amino]piperidin-1-yl]phenyl]methanone
CID 99948141
[2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109323265

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 26276510) is [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(N3CCC(NCCC4=CCCCC4)CC3)cc2)CC1.
What is the InChIKey of [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is JCINGYBYJJSRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-2-28-18-20-30(21-19-28)26(31)23-8-10-25(11-9-23)29-16-13-24(14-17-29)27-15-12-22-6-4-3-5-7-22/h6,8-11,24,27H,2-5,7,12-21H2,1H3.
What are the key properties of [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 424.63 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 26276510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).