1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C20H28N4O3 — CID 60545834

IUPAC1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCC1CCN(C(=O)c2ccc(NC(=O)NCC(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C20H28N4O3/c1-15-8-12-24(13-9-15)19(26)16-4-6-17(7-5-16)22-20(27)21-14-18(25)23-10-2-3-11-23/h4-7,15H,2-3,8-14H2,1H3,(H2,21,22,27)
InChIKeyGMGQGXURUIWRLM-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.30
Rot. Bonds4

About 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 60545834) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID60545834
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCC1CCN(C(=O)c2ccc(NC(=O)NCC(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C20H28N4O3/c1-15-8-12-24(13-9-15)19(26)16-4-6-17(7-5-16)22-20(27)21-14-18(25)23-10-2-3-11-23/h4-7,15H,2-3,8-14H2,1H3,(H2,21,22,27)
InChIKeyGMGQGXURUIWRLM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545716
1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
CID 54843401
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid
CID 24746961

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 60545834) is 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is CC1CCN(C(=O)c2ccc(NC(=O)NCC(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is GMGQGXURUIWRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15-8-12-24(13-9-15)19(26)16-4-6-17(7-5-16)22-20(27)21-14-18(25)23-10-2-3-11-23/h4-7,15H,2-3,8-14H2,1H3,(H2,21,22,27).
What are the key properties of 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 372.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 60545834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).