[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C19H33N3O — CID 3153510

IUPAC[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(CC3CC=CCC3)CC2)CC1
InChIInChI=1S/C19H33N3O/c1-2-20-12-14-22(15-13-20)19(23)18-8-10-21(11-9-18)16-17-6-4-3-5-7-17/h3-4,17-18H,2,5-16H2,1H3
InChIKeyCRHFDBMBVRTGHF-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.22
Rot. Bonds4

About [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 3153510) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID3153510
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(CC3CC=CCC3)CC2)CC1
InChIInChI=1S/C19H33N3O/c1-2-20-12-14-22(15-13-20)19(23)18-8-10-21(11-9-18)16-17-6-4-3-5-7-17/h3-4,17-18H,2,5-16H2,1H3
InChIKeyCRHFDBMBVRTGHF-UHFFFAOYSA-N
XLogP2.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 678228
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2903750
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
tert-butyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
CID 139403745
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
[(1R)-cyclohex-3-en-1-yl]-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615890
[(1S)-cyclohex-3-en-1-yl]-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 100845119
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
CID 796138
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 3153510) is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCN(CC3CC=CCC3)CC2)CC1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is CRHFDBMBVRTGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-2-20-12-14-22(15-13-20)19(23)18-8-10-21(11-9-18)16-17-6-4-3-5-7-17/h3-4,17-18H,2,5-16H2,1H3.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 319.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 3153510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).