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

C20H26N4O3 — CID 128930624

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H26N4O3/c25-18-2-1-11-24(18)17-7-5-15(6-8-17)21-20(27)22-16-9-12-23(13-10-16)19(26)14-3-4-14/h5-8,14,16H,1-4,9-13H2,(H2,21,22,27)
InChIKeyUNNMEDNTWRLWSQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.34
Rot. Bonds4

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

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 128930624) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID128930624
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H26N4O3/c25-18-2-1-11-24(18)17-7-5-15(6-8-17)21-20(27)22-16-9-12-23(13-10-16)19(26)14-3-4-14/h5-8,14,16H,1-4,9-13H2,(H2,21,22,27)
InChIKeyUNNMEDNTWRLWSQ-UHFFFAOYSA-N
XLogP2.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
tert-butyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 36570789
4-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122080093
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55816776
1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666930
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
CID 8694503

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 128930624) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is UNNMEDNTWRLWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-18-2-1-11-24(18)17-7-5-15(6-8-17)21-20(27)22-16-9-12-23(13-10-16)19(26)14-3-4-14/h5-8,14,16H,1-4,9-13H2,(H2,21,22,27).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 370.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 128930624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).