4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide

C19H28N4O2 — CID 18129548

IUPAC4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-16-6-2-3-7-17(16)21-12-14-23(15-13-21)19(25)20-9-8-18(24)22-10-4-5-11-22/h2-3,6-7H,4-5,8-15H2,1H3,(H,20,25)
InChIKeyWHNIKJDCTOZESZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.84
Rot. Bonds4

About 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide

4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 18129548) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID18129548
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-16-6-2-3-7-17(16)21-12-14-23(15-13-21)19(25)20-9-8-18(24)22-10-4-5-11-22/h2-3,6-7H,4-5,8-15H2,1H3,(H,20,25)
InChIKeyWHNIKJDCTOZESZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-Cyclohexyl-3-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263990
1-Cyclohexyl-3-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263991
4-methyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264122
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide (CID 18129548) is 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide is Cc1ccccc1N1CCN(C(=O)NCCC(=O)N2CCCC2)CC1.
What is the InChIKey of 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is WHNIKJDCTOZESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-16-6-2-3-7-17(16)21-12-14-23(15-13-21)19(25)20-9-8-18(24)22-10-4-5-11-22/h2-3,6-7H,4-5,8-15H2,1H3,(H,20,25).
What are the key properties of 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 18129548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).