3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea

C22H29N3O2 — CID 134796961

IUPAC3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)N(C)C)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-24(2)22(26)23-19-11-13-25(14-12-19)16-17-7-6-8-18(15-17)20-9-4-5-10-21(20)27-3/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyWIPUIZAMOPERAD-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.60
Rot. Bonds5

About 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea

3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea (PubChem CID 134796961) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
PubChem CID134796961
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)N(C)C)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-24(2)22(26)23-19-11-13-25(14-12-19)16-17-7-6-8-18(15-17)20-9-4-5-10-21(20)27-3/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyWIPUIZAMOPERAD-UHFFFAOYSA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134803410
3-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 134796413
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134796270
N-(1-benzylpiperidin-4-yl)-2-methoxy-6-nitrobenzamide
CID 21102223
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea (CID 134796961) is 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea is COc1ccccc1-c1cccc(CN2CCC(NC(=O)N(C)C)CC2)c1.
What is the InChIKey of 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea?
The InChIKey is WIPUIZAMOPERAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(2)22(26)23-19-11-13-25(14-12-19)16-17-7-6-8-18(15-17)20-9-4-5-10-21(20)27-3/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea?
3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea has a molecular weight of 367.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 134796961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).