2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide

C20H29N3O — CID 56704984

IUPAC2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1=CCCCC1)NCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H29N3O/c24-20(14-17-4-2-1-3-5-17)22-15-18-8-12-23(13-9-18)16-19-6-10-21-11-7-19/h4,6-7,10-11,18H,1-3,5,8-9,12-16H2,(H,22,24)
InChIKeyQQCRMCONDZBCNA-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.30
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 56704984) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID56704984
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CC1=CCCCC1)NCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H29N3O/c24-20(14-17-4-2-1-3-5-17)22-15-18-8-12-23(13-9-18)16-19-6-10-21-11-7-19/h4,6-7,10-11,18H,1-3,5,8-9,12-16H2,(H,22,24)
InChIKeyQQCRMCONDZBCNA-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887197
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[[(3S)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]methyl]-2-pyridin-4-ylacetamide
CID 95211378

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 56704984) is 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(CC1=CCCCC1)NCC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is QQCRMCONDZBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(14-17-4-2-1-3-5-17)22-15-18-8-12-23(13-9-18)16-19-6-10-21-11-7-19/h4,6-7,10-11,18H,1-3,5,8-9,12-16H2,(H,22,24).
What are the key properties of 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 56704984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).