1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C19H28N4O3 — CID 97443663

IUPAC1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H28N4O3/c24-14-17-4-1-2-11-22(17)13-10-20-19(26)21-15-6-8-16(9-7-15)23-12-3-5-18(23)25/h6-9,17,24H,1-5,10-14H2,(H2,20,21,26)/t17-/m1/s1
InChIKeyXFJKMSCZDNKMGE-QGZVFWFLSA-N
MW360.46 g/mol
LogP1.78
Rot. Bonds6

About 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 97443663) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID97443663
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H28N4O3/c24-14-17-4-1-2-11-22(17)13-10-20-19(26)21-15-6-8-16(9-7-15)23-12-3-5-18(23)25/h6-9,17,24H,1-5,10-14H2,(H2,20,21,26)/t17-/m1/s1
InChIKeyXFJKMSCZDNKMGE-QGZVFWFLSA-N
XLogP1.78
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]-N-methylacetamide
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N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
CID 126453906
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1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987752
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1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
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1-[4-(cyanomethyl)phenyl]-3-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]urea
CID 95626204
1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 72938159
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 97443663) is 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is XFJKMSCZDNKMGE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-14-17-4-1-2-11-22(17)13-10-20-19(26)21-15-6-8-16(9-7-15)23-12-3-5-18(23)25/h6-9,17,24H,1-5,10-14H2,(H2,20,21,26)/t17-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 360.46 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 97443663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).