1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea

C24H33N3O2 — CID 86943158

IUPAC1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-18-7-4-5-9-21(18)17-27-13-11-22(12-14-27)26-24(28)25-19(2)15-20-8-6-10-23(16-20)29-3/h4-10,16,19,22H,11-15,17H2,1-3H3,(H2,25,26,28)
InChIKeyPMRZVIJSLWCSBY-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.90
Rot. Bonds7

About 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea (PubChem CID 86943158) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
PubChem CID86943158
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
SMILESCOc1cccc(CC(C)NC(=O)NC2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-18-7-4-5-9-21(18)17-27-13-11-22(12-14-27)26-24(28)25-19(2)15-20-8-6-10-23(16-20)29-3/h4-10,16,19,22H,11-15,17H2,1-3H3,(H2,25,26,28)
InChIKeyPMRZVIJSLWCSBY-UHFFFAOYSA-N
XLogP3.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)propan-2-yl]-4-[2-(2-methylphenyl)acetyl]piperazine-1-carboxamide
CID 86943270
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
tert-butyl N-[1-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55982499
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55946356
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-phenylbutan-2-yl)urea
CID 55909734
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 90832663
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea (CID 86943158) is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea is COc1cccc(CC(C)NC(=O)NC2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
The InChIKey is PMRZVIJSLWCSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18-7-4-5-9-21(18)17-27-13-11-22(12-14-27)26-24(28)25-19(2)15-20-8-6-10-23(16-20)29-3/h4-10,16,19,22H,11-15,17H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea?
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea has a molecular weight of 395.55 g/mol, XLogP of 3.90, 7 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-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 86943158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).