1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea

C21H30N4O3 — CID 154743880

IUPAC1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1N1CCCCC1)NC1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C21H30N4O3/c26-20-18(8-13-25(20)16-9-14-28-15-10-16)23-21(27)22-17-6-2-3-7-19(17)24-11-4-1-5-12-24/h2-3,6-7,16,18H,1,4-5,8-15H2,(H2,22,23,27)
InChIKeyHPLRMQIVYUWTAQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea

1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea (PubChem CID 154743880) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea
PubChem CID154743880
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea
SMILESO=C(Nc1ccccc1N1CCCCC1)NC1CCN(C2CCOCC2)C1=O
InChIInChI=1S/C21H30N4O3/c26-20-18(8-13-25(20)16-9-14-28-15-10-16)23-21(27)22-17-6-2-3-7-19(17)24-11-4-1-5-12-24/h2-3,6-7,16,18H,1,4-5,8-15H2,(H2,22,23,27)
InChIKeyHPLRMQIVYUWTAQ-UHFFFAOYSA-N
XLogP2.58
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-(4-fluoro-2-morpholin-4-ylphenyl)urea
CID 138037578
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
2-chloro-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]acetamide
CID 146086001
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
1-(2-cyclohexylethyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108888594
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 46981067
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831
N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 154736341
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
2-cyclopentyl-2-methyl-N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]propanamide
CID 86769756
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea (CID 154743880) is 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea is O=C(Nc1ccccc1N1CCCCC1)NC1CCN(C2CCOCC2)C1=O.
What is the InChIKey of 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
The InChIKey is HPLRMQIVYUWTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-20-18(8-13-25(20)16-9-14-28-15-10-16)23-21(27)22-17-6-2-3-7-19(17)24-11-4-1-5-12-24/h2-3,6-7,16,18H,1,4-5,8-15H2,(H2,22,23,27).
What are the key properties of 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea?
1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea has a molecular weight of 386.50 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-3-(2-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 154743880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).