1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide

C20H29N3O3 — CID 119073948

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(22-15-18-7-4-14-26-18)17-9-12-23(13-10-17)20(25)21-11-8-16-5-2-1-3-6-16/h4-5,7,14,17H,1-3,6,8-13,15H2,(H,21,25)(H,22,24)
InChIKeyQNETUKDBABMMEG-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.21
Rot. Bonds6

About 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 119073948) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID119073948
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C20H29N3O3/c24-19(22-15-18-7-4-14-26-18)17-9-12-23(13-10-17)20(25)21-11-8-16-5-2-1-3-6-16/h4-5,7,14,17H,1-3,6,8-13,15H2,(H,21,25)(H,22,24)
InChIKeyQNETUKDBABMMEG-UHFFFAOYSA-N
XLogP3.21
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
1-N-[(1-ethylcyclobutyl)methyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 75377699
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082049
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide (CID 119073948) is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide is O=C(NCc1ccco1)C1CCN(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is QNETUKDBABMMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(22-15-18-7-4-14-26-18)17-9-12-23(13-10-17)20(25)21-11-8-16-5-2-1-3-6-16/h4-5,7,14,17H,1-3,6,8-13,15H2,(H,21,25)(H,22,24).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 119073948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).