1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea

C21H27N3O2 — CID 100747805

IUPAC1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea
SMILESCOc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(22-21(25)23-19-8-4-5-9-20(19)26-2)17-10-12-18(13-11-17)24-14-6-3-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyORSGAMDJPXNMFV-MRXNPFEDSA-N
MW353.47 g/mol
LogP4.57
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea

1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea (PubChem CID 100747805) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea
PubChem CID100747805
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea
SMILESCOc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(22-21(25)23-19-8-4-5-9-20(19)26-2)17-10-12-18(13-11-17)24-14-6-3-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyORSGAMDJPXNMFV-MRXNPFEDSA-N
XLogP4.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866531
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
CID 113132097
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea (CID 100747805) is 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea is COc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea?
The InChIKey is ORSGAMDJPXNMFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(22-21(25)23-19-8-4-5-9-20(19)26-2)17-10-12-18(13-11-17)24-14-6-3-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea?
1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea has a molecular weight of 353.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 100747805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).