1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

C20H28N4O3 — CID 55699121

IUPAC1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2ccccc2N2CCCC2=O)CC1
InChIInChI=1S/C20H28N4O3/c1-14(2)19(26)23-12-9-15(10-13-23)21-20(27)22-16-6-3-4-7-17(16)24-11-5-8-18(24)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H2,21,22,27)
InChIKeyYFVHPNHIYUDYQD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 55699121) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID55699121
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC(C)C(=O)N1CCC(NC(=O)Nc2ccccc2N2CCCC2=O)CC1
InChIInChI=1S/C20H28N4O3/c1-14(2)19(26)23-12-9-15(10-13-23)21-20(27)22-16-6-3-4-7-17(16)24-11-5-8-18(24)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H2,21,22,27)
InChIKeyYFVHPNHIYUDYQD-UHFFFAOYSA-N
XLogP2.58
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 51945595
1-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 136514487
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132940
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 55699121) is 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is CC(C)C(=O)N1CCC(NC(=O)Nc2ccccc2N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is YFVHPNHIYUDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)19(26)23-12-9-15(10-13-23)21-20(27)22-16-6-3-4-7-17(16)24-11-5-8-18(24)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 372.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55699121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).