1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea

C24H29ClN4O3 — CID 152909543

IUPAC1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea
SMILESCC1(O)CCCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(Cl)cc4)C3=O)cc2)C1
InChIInChI=1S/C24H29ClN4O3/c1-24(32)13-3-14-28(16-24)19-9-11-20(12-10-19)29-15-2-4-21(22(29)30)27-23(31)26-18-7-5-17(25)6-8-18/h5-12,21,32H,2-4,13-16H2,1H3,(H2,26,27,31)/t21-,24?/m1/s1
InChIKeyUGXPTKNCXWDZPN-CILPGNKCSA-N
MW456.97 g/mol
LogP4.01
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea

1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea (PubChem CID 152909543) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea
PubChem CID152909543
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea
SMILESCC1(O)CCCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(Cl)cc4)C3=O)cc2)C1
InChIInChI=1S/C24H29ClN4O3/c1-24(32)13-3-14-28(16-24)19-9-11-20(12-10-19)29-15-2-4-21(22(29)30)27-23(31)26-18-7-5-17(25)6-8-18/h5-12,21,32H,2-4,13-16H2,1H3,(H2,26,27,31)/t21-,24?/m1/s1
InChIKeyUGXPTKNCXWDZPN-CILPGNKCSA-N
XLogP4.01
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-1-[4-(3-hydroxypiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971350
1-[(3R)-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971437
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
[(3R)-1-[4-(3,3-difluoropiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea;molecular hydrogen
CID 142493531
[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
CID 155745678
1-(4-chlorophenyl)-3-[(3R)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]urea
CID 129227177
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea
CID 154971330
2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide
CID 129226922
1-[(3R)-1-[4-(4-fluoro-2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129227181
4-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003178
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea (CID 152909543) is 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea is CC1(O)CCCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(Cl)cc4)C3=O)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea?
The InChIKey is UGXPTKNCXWDZPN-CILPGNKCSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-24(32)13-3-14-28(16-24)19-9-11-20(12-10-19)29-15-2-4-21(22(29)30)27-23(31)26-18-7-5-17(25)6-8-18/h5-12,21,32H,2-4,13-16H2,1H3,(H2,26,27,31)/t21-,24?/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea?
1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea has a molecular weight of 456.97 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 152909543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).