N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide

C21H24N2O5 — CID 31398496

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O5/c1-3-11-28-18-5-4-15(13-19(18)26-2)20(24)22-17-6-9-23(10-7-17)21(25)16-8-12-27-14-16/h3-5,8,12-14,17H,1,6-7,9-11H2,2H3,(H,22,24)
InChIKeyLYBQHUPUHWHISX-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.89
Rot. Bonds7

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 31398496) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID31398496
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O5/c1-3-11-28-18-5-4-15(13-19(18)26-2)20(24)22-17-6-9-23(10-7-17)21(25)16-8-12-27-14-16/h3-5,8,12-14,17H,1,6-7,9-11H2,2H3,(H,22,24)
InChIKeyLYBQHUPUHWHISX-UHFFFAOYSA-N
XLogP2.89
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
3-methoxy-N-[(1S,3R)-1-oxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 96521359
[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950584
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
CID 46420886
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide (CID 31398496) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1OC.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is LYBQHUPUHWHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-11-28-18-5-4-15(13-19(18)26-2)20(24)22-17-6-9-23(10-7-17)21(25)16-8-12-27-14-16/h3-5,8,12-14,17H,1,6-7,9-11H2,2H3,(H,22,24).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 384.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 31398496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).