1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea

C25H26Cl2N4O2 — CID 139475514

IUPAC1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
SMILESCOc1ccc(C2CN(Cc3cncc(Cl)c3)CC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26Cl2N4O2/c1-33-22-8-2-18(3-9-22)23-16-31(15-17-12-20(27)14-28-13-17)11-10-24(23)30-25(32)29-21-6-4-19(26)5-7-21/h2-9,12-14,23-24H,10-11,15-16H2,1H3,(H2,29,30,32)/t23?,24-/m1/s1
InChIKeyXZUHQCAZRWVZLJ-XMMISQBUSA-N
MW485.42 g/mol
LogP5.58
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea

1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea (PubChem CID 139475514) has the molecular formula C25H26Cl2N4O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
PubChem CID139475514
Molecular FormulaC25H26Cl2N4O2
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC Name1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
SMILESCOc1ccc(C2CN(Cc3cncc(Cl)c3)CC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26Cl2N4O2/c1-33-22-8-2-18(3-9-22)23-16-31(15-17-12-20(27)14-28-13-17)11-10-24(23)30-25(32)29-21-6-4-19(26)5-7-21/h2-9,12-14,23-24H,10-11,15-16H2,1H3,(H2,29,30,32)/t23?,24-/m1/s1
InChIKeyXZUHQCAZRWVZLJ-XMMISQBUSA-N
XLogP5.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139468150
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 159900730
N-[(3S,4R)-1-[(4-acetamidophenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 70735692
1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
CID 150128851
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139475787
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347535
1-(4-chlorophenyl)-3-[(3S)-1-(cyclopropylmethyl)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]urea
CID 134361553
1-(5-chloro-2-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
CID 139466554
2-[(3S,4R)-3-[(4-fluorophenyl)carbamoylamino]-4-(4-methoxyphenyl)pyrrolidin-1-yl]acetic acid
CID 138525291

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea (CID 139475514) is 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea is COc1ccc(C2CN(Cc3cncc(Cl)c3)CC[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea?
The InChIKey is XZUHQCAZRWVZLJ-XMMISQBUSA-N. The full InChI is InChI=1S/C25H26Cl2N4O2/c1-33-22-8-2-18(3-9-22)23-16-31(15-17-12-20(27)14-28-13-17)11-10-24(23)30-25(32)29-21-6-4-19(26)5-7-21/h2-9,12-14,23-24H,10-11,15-16H2,1H3,(H2,29,30,32)/t23?,24-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea has a molecular weight of 485.42 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea is sourced from PubChem (CID 139475514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).