N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

C19H25N4O4+ — CID 2698399

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)NC(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O4/c1-26-16-5-2-4-15(12-16)23-9-7-22(8-10-23)14-18(24)21-19(25)20-13-17-6-3-11-27-17/h2-6,11-12H,7-10,13-14H2,1H3,(H2,20,21,24,25)/p+1
InChIKeyBLFADMDHECFTPD-UHFFFAOYSA-O
MW373.43 g/mol
LogP0.02
Rot. Bonds6

About N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2698399) has the molecular formula C19H25N4O4+ and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2698399
Molecular FormulaC19H25N4O4+
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)NC(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O4/c1-26-16-5-2-4-15(12-16)23-9-7-22(8-10-23)14-18(24)21-19(25)20-13-17-6-3-11-27-17/h2-6,11-12H,7-10,13-14H2,1H3,(H2,20,21,24,25)/p+1
InChIKeyBLFADMDHECFTPD-UHFFFAOYSA-O
XLogP0.02
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 2125852
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698435
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2123025
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
N-(furan-2-ylmethylcarbamoyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 47006382
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 35148049

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 2698399) is N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is COc1cccc(N2CC[NH+](CC(=O)NC(=O)NCc3ccco3)CC2)c1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is BLFADMDHECFTPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O4/c1-26-16-5-2-4-15(12-16)23-9-7-22(8-10-23)14-18(24)21-19(25)20-13-17-6-3-11-27-17/h2-6,11-12H,7-10,13-14H2,1H3,(H2,20,21,24,25)/p+1.
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2698399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).