N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide

C22H32N4O2 — CID 16887197

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H32N4O2/c27-21(24-13-9-18-6-2-1-3-7-18)22(28)25-16-19-10-14-26(15-11-19)17-20-8-4-5-12-23-20/h4-6,8,12,19H,1-3,7,9-11,13-17H2,(H,24,27)(H,25,28)
InChIKeyIHMZHMIYKKJDQP-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.42
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887197) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887197
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H32N4O2/c27-21(24-13-9-18-6-2-1-3-7-18)22(28)25-16-19-10-14-26(15-11-19)17-20-8-4-5-12-23-20/h4-6,8,12,19H,1-3,7,9-11,13-17H2,(H,24,27)(H,25,28)
InChIKeyIHMZHMIYKKJDQP-UHFFFAOYSA-N
XLogP2.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108984169
N'-(3-chloro-4-fluorophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887200
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 56704984
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887197) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is IHMZHMIYKKJDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-21(24-13-9-18-6-2-1-3-7-18)22(28)25-16-19-10-14-26(15-11-19)17-20-8-4-5-12-23-20/h4-6,8,12,19H,1-3,7,9-11,13-17H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 384.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).