oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate

C17H23N3O4 — CID 154770115

IUPACoxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)N2CCN(C(=O)OC3CCOC3)CC2)cc1
InChIInChI=1S/C17H23N3O4/c1-13-2-4-14(5-3-13)18-16(21)19-7-9-20(10-8-19)17(22)24-15-6-11-23-12-15/h2-5,15H,6-12H2,1H3,(H,18,21)
InChIKeyWGVPYJPSGQHJNM-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.07
Rot. Bonds2

About oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate

oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 154770115) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate
PubChem CID154770115
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameoxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate
SMILESCc1ccc(NC(=O)N2CCN(C(=O)OC3CCOC3)CC2)cc1
InChIInChI=1S/C17H23N3O4/c1-13-2-4-14(5-3-13)18-16(21)19-7-9-20(10-8-19)17(22)24-15-6-11-23-12-15/h2-5,15H,6-12H2,1H3,(H,18,21)
InChIKeyWGVPYJPSGQHJNM-UHFFFAOYSA-N
XLogP2.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
CID 80713616
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate (CID 154770115) is oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate is Cc1ccc(NC(=O)N2CCN(C(=O)OC3CCOC3)CC2)cc1.
What is the InChIKey of oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is WGVPYJPSGQHJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-13-2-4-14(5-3-13)18-16(21)19-7-9-20(10-8-19)17(22)24-15-6-11-23-12-15/h2-5,15H,6-12H2,1H3,(H,18,21).
What are the key properties of oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate?
oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 154770115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).