1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea

C20H28N4O3 — CID 128960283

IUPAC1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1
InChIInChI=1S/C20H28N4O3/c1-15(25)23-11-8-17(9-12-23)21-20(27)22-18-6-4-5-16(13-18)14-24-10-3-2-7-19(24)26/h4-6,13,17H,2-3,7-12,14H2,1H3,(H2,21,22,27)
InChIKeyHXVNMSORRPNLEC-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.33
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea

1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (PubChem CID 128960283) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
PubChem CID128960283
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1
InChIInChI=1S/C20H28N4O3/c1-15(25)23-11-8-17(9-12-23)21-20(27)22-18-6-4-5-16(13-18)14-24-10-3-2-7-19(24)26/h4-6,13,17H,2-3,7-12,14H2,1H3,(H2,21,22,27)
InChIKeyHXVNMSORRPNLEC-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778301
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 154837502
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (CID 128960283) is 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is CC(=O)N1CCC(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The InChIKey is HXVNMSORRPNLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(25)23-11-8-17(9-12-23)21-20(27)22-18-6-4-5-16(13-18)14-24-10-3-2-7-19(24)26/h4-6,13,17H,2-3,7-12,14H2,1H3,(H2,21,22,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea has a molecular weight of 372.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 128960283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).