N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide

C20H25N3O5 — CID 110397663

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1OC
InChIInChI=1S/C20H25N3O5/c1-26-16-6-5-15(14-18(16)27-2)19(24)21-7-8-22-9-11-23(12-10-22)20(25)17-4-3-13-28-17/h3-6,13-14H,7-12H2,1-2H3,(H,21,24)
InChIKeyKDAXHMYCXGTAHL-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.48
Rot. Bonds7

About N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide (PubChem CID 110397663) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
PubChem CID110397663
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1OC
InChIInChI=1S/C20H25N3O5/c1-26-16-6-5-15(14-18(16)27-2)19(24)21-7-8-22-9-11-23(12-10-22)20(25)17-4-3-13-28-17/h3-6,13-14H,7-12H2,1-2H3,(H,21,24)
InChIKeyKDAXHMYCXGTAHL-UHFFFAOYSA-N
XLogP1.48
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46055929
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide (CID 110397663) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1OC.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is KDAXHMYCXGTAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-16-6-5-15(14-18(16)27-2)19(24)21-7-8-22-9-11-23(12-10-22)20(25)17-4-3-13-28-17/h3-6,13-14H,7-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110397663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).