4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide

C19H25N3O3 — CID 60569814

IUPAC4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccoc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-3-24-18-7-5-4-6-17(18)21-9-11-22(12-10-21)19(23)20-14-16-8-13-25-15(16)2/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,23)
InChIKeyXSAJWUOXYHYVOU-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.02
Rot. Bonds5

About 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 60569814) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
PubChem CID60569814
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccoc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-3-24-18-7-5-4-6-17(18)21-9-11-22(12-10-21)19(23)20-14-16-8-13-25-15(16)2/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,23)
InChIKeyXSAJWUOXYHYVOU-UHFFFAOYSA-N
XLogP3.02
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 56826138
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 71967644
N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030509
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide (CID 60569814) is 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2ccoc2C)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is XSAJWUOXYHYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-24-18-7-5-4-6-17(18)21-9-11-22(12-10-21)19(23)20-14-16-8-13-25-15(16)2/h4-8,13H,3,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60569814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).