1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea

C17H27N3O2 — CID 94800132

IUPAC1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
SMILESCOc1ccccc1NC(=O)NC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-13(2)20-10-6-7-14(12-20)11-18-17(21)19-15-8-4-5-9-16(15)22-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyPXEXCHFTQZCUFF-CQSZACIVSA-N
MW305.42 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea

1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea (PubChem CID 94800132) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
PubChem CID94800132
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
SMILESCOc1ccccc1NC(=O)NC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-13(2)20-10-6-7-14(12-20)11-18-17(21)19-15-8-4-5-9-16(15)22-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyPXEXCHFTQZCUFF-CQSZACIVSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 51098673
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111282654
N-benzyl-2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]acetamide
CID 95598613
1-(3-chloro-2-methylphenyl)-3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]urea
CID 52524542
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea (CID 94800132) is 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea is COc1ccccc1NC(=O)NC[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
The InChIKey is PXEXCHFTQZCUFF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)20-10-6-7-14(12-20)11-18-17(21)19-15-8-4-5-9-16(15)22-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea?
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.94, 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-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 94800132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).