1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea

C17H27N3O2 — CID 51952440

IUPAC1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C17H27N3O2/c1-13-10-14(2)12-20(11-13)9-8-18-17(21)19-15-6-4-5-7-16(15)22-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19,21)/t13-,14-/m1/s1
InChIKeyMBKBBFFSKKJSOG-ZIAGYGMSSA-N
MW305.42 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea

1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 51952440) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
PubChem CID51952440
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCN1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C17H27N3O2/c1-13-10-14(2)12-20(11-13)9-8-18-17(21)19-15-6-4-5-7-16(15)22-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19,21)/t13-,14-/m1/s1
InChIKeyMBKBBFFSKKJSOG-ZIAGYGMSSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
CID 20910167
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea (CID 51952440) is 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCN1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is MBKBBFFSKKJSOG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-10-14(2)12-20(11-13)9-8-18-17(21)19-15-6-4-5-7-16(15)22-3/h4-7,13-14H,8-12H2,1-3H3,(H2,18,19,21)/t13-,14-/m1/s1.
What are the key properties of 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea?
1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 51952440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).