1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea

C26H26ClN3O4 — CID 139475787

IUPAC1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
SMILESCOc1ccc(C2CN(c3ccc(OC)cc3)C(=O)C[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H26ClN3O4/c1-33-21-11-3-17(4-12-21)23-16-30(20-9-13-22(34-2)14-10-20)25(31)15-24(23)29-26(32)28-19-7-5-18(27)6-8-19/h3-14,23-24H,15-16H2,1-2H3,(H2,28,29,32)/t23?,24-/m1/s1
InChIKeySTZQZZJQNXKWES-XMMISQBUSA-N
MW479.96 g/mol
LogP5.07
Rot. Bonds6

About 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea

1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea (PubChem CID 139475787) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
PubChem CID139475787
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC Name1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
SMILESCOc1ccc(C2CN(c3ccc(OC)cc3)C(=O)C[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H26ClN3O4/c1-33-21-11-3-17(4-12-21)23-16-30(20-9-13-22(34-2)14-10-20)25(31)15-24(23)29-26(32)28-19-7-5-18(27)6-8-19/h3-14,23-24H,15-16H2,1-2H3,(H2,28,29,32)/t23?,24-/m1/s1
InChIKeySTZQZZJQNXKWES-XMMISQBUSA-N
XLogP5.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
1-(4-bromophenyl)-3-[(4S)-5-(4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
CID 139475898
1-(4-chlorophenyl)-3-[(3S)-1-(cyclopropylmethyl)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361553
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-chlorophenyl)-3-[(3S,4R)-1-(2-hydroxyethyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 157305390
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564279
1-(4-chlorophenyl)-3-[5-(2-fluoro-4-methoxyphenyl)-1-methyl-2-oxopiperidin-4-yl]urea
CID 139475778
1-(3,4-dichlorophenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545335
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea (CID 139475787) is 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea is COc1ccc(C2CN(c3ccc(OC)cc3)C(=O)C[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea?
The InChIKey is STZQZZJQNXKWES-XMMISQBUSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c1-33-21-11-3-17(4-12-21)23-16-30(20-9-13-22(34-2)14-10-20)25(31)15-24(23)29-26(32)28-19-7-5-18(27)6-8-19/h3-14,23-24H,15-16H2,1-2H3,(H2,28,29,32)/t23?,24-/m1/s1.
What are the key properties of 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea?
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea has a molecular weight of 479.96 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 139475787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).