1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea

C19H20ClN3O3 — CID 135251225

IUPAC1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea
SMILESCOc1ccc([C@@H]2CCNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-26-15-8-2-12(3-9-15)16-10-11-21-18(24)17(16)23-19(25)22-14-6-4-13(20)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,24)(H2,22,23,25)/t16-,17-/m0/s1
InChIKeyLUMCHLIFCNVZOU-IRXDYDNUSA-N
MW373.84 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea

1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea (PubChem CID 135251225) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea
PubChem CID135251225
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea
SMILESCOc1ccc([C@@H]2CCNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O3/c1-26-15-8-2-12(3-9-15)16-10-11-21-18(24)17(16)23-19(25)22-14-6-4-13(20)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,24)(H2,22,23,25)/t16-,17-/m0/s1
InChIKeyLUMCHLIFCNVZOU-IRXDYDNUSA-N
XLogP3.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea (CID 135251225) is 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea is COc1ccc([C@@H]2CCNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea?
The InChIKey is LUMCHLIFCNVZOU-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-26-15-8-2-12(3-9-15)16-10-11-21-18(24)17(16)23-19(25)22-14-6-4-13(20)5-7-14/h2-9,16-17H,10-11H2,1H3,(H,21,24)(H2,22,23,25)/t16-,17-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea?
1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea has a molecular weight of 373.84 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 135251225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).