N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide

C15H23N3O3 — CID 82163321

IUPACN-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCN2CCN(CCO)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-21-14-4-2-3-13(11-14)15(20)16-12-18-7-5-17(6-8-18)9-10-19/h2-4,11,19H,5-10,12H2,1H3,(H,16,20)
InChIKeyRHBASVCXASZXBE-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.01
Rot. Bonds6

About N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide

N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide (PubChem CID 82163321) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
PubChem CID82163321
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCN2CCN(CCO)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-21-14-4-2-3-13(11-14)15(20)16-12-18-7-5-17(6-8-18)9-10-19/h2-4,11,19H,5-10,12H2,1H3,(H,16,20)
InChIKeyRHBASVCXASZXBE-UHFFFAOYSA-N
XLogP-0.01
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 10572037
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 71449110
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
N-[2-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111416279

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide (CID 82163321) is N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCN2CCN(CCO)CC2)c1.
What is the InChIKey of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide?
The InChIKey is RHBASVCXASZXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-14-4-2-3-13(11-14)15(20)16-12-18-7-5-17(6-8-18)9-10-19/h2-4,11,19H,5-10,12H2,1H3,(H,16,20).
What are the key properties of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide?
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide has a molecular weight of 293.37 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 82163321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).