4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide

C18H26N4O3 — CID 136522058

IUPAC4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C(=O)c2ccco2)CC1)C1=CCN(C)CC1
InChIInChI=1S/C18H26N4O3/c1-14(15-5-7-20(2)8-6-15)19-18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-5,13-14H,6-12H2,1-2H3,(H,19,24)
InChIKeyQDJTZZIAZYPWCU-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.40
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 136522058) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID136522058
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C(=O)c2ccco2)CC1)C1=CCN(C)CC1
InChIInChI=1S/C18H26N4O3/c1-14(15-5-7-20(2)8-6-15)19-18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-5,13-14H,6-12H2,1-2H3,(H,19,24)
InChIKeyQDJTZZIAZYPWCU-UHFFFAOYSA-N
XLogP1.40
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.40
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-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914854
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
4-(furan-2-carbonyl)-N-(6-hydroxy-6-methylheptan-2-yl)-1,4-diazepane-1-carboxamide
CID 119066954
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9431911
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide (CID 136522058) is 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(C(=O)c2ccco2)CC1)C1=CCN(C)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is QDJTZZIAZYPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(15-5-7-20(2)8-6-15)19-18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-5,13-14H,6-12H2,1-2H3,(H,19,24).
What are the key properties of 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 136522058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).