4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

C18H25N3O4 — CID 126423329

IUPAC4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-24-15-5-2-4-14(10-15)12-20-7-8-21(13-17(20)22)18(23)19-11-16-6-3-9-25-16/h2,4-5,10,16H,3,6-9,11-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyGILBWXXDHJJMQD-MRXNPFEDSA-N
MW347.42 g/mol
LogP1.23
Rot. Bonds5

About 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 126423329) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
PubChem CID126423329
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-24-15-5-2-4-14(10-15)12-20-7-8-21(13-17(20)22)18(23)19-11-16-6-3-9-25-16/h2,4-5,10,16H,3,6-9,11-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyGILBWXXDHJJMQD-MRXNPFEDSA-N
XLogP1.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
CID 75435937
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
CID 126448550
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 53011193
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
1-[[2-(3-methoxyphenyl)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 24637215
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 99959511
4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
4-(2-methoxybutanoyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70753862

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (CID 126423329) is 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is COc1cccc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2=O)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is GILBWXXDHJJMQD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-15-5-2-4-14(10-15)12-20-7-8-21(13-17(20)22)18(23)19-11-16-6-3-9-25-16/h2,4-5,10,16H,3,6-9,11-13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126423329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).