1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea

C20H33N3O2 — CID 86943734

IUPAC1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C20H33N3O2/c1-16(14-18-9-6-10-19(15-18)25-3)22-20(24)21-11-7-13-23-12-5-4-8-17(23)2/h6,9-10,15-17H,4-5,7-8,11-14H2,1-3H3,(H2,21,22,24)
InChIKeyBSOMCFVZIOCTAK-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.19
Rot. Bonds8

About 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 86943734) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID86943734
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C20H33N3O2/c1-16(14-18-9-6-10-19(15-18)25-3)22-20(24)21-11-7-13-23-12-5-4-8-17(23)2/h6,9-10,15-17H,4-5,7-8,11-14H2,1-3H3,(H2,21,22,24)
InChIKeyBSOMCFVZIOCTAK-UHFFFAOYSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 47040948
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371129
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60600235
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249000
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249886
2-[(3-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 24782975
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 125447918
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 86943734) is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea is COc1cccc(CC(C)NC(=O)NCCCN2CCCCC2C)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is BSOMCFVZIOCTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(14-18-9-6-10-19(15-18)25-3)22-20(24)21-11-7-13-23-12-5-4-8-17(23)2/h6,9-10,15-17H,4-5,7-8,11-14H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 86943734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).