1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea

C20H27N3O2 — CID 126441251

IUPAC1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
SMILESCOc1ccc2cc([C@@H](C)NC(=O)NCC3CCNCC3)ccc2c1
InChIInChI=1S/C20H27N3O2/c1-14(23-20(24)22-13-15-7-9-21-10-8-15)16-3-4-18-12-19(25-2)6-5-17(18)11-16/h3-6,11-12,14-15,21H,7-10,13H2,1-2H3,(H2,22,23,24)/t14-/m1/s1
InChIKeyQJEJWSNAGJIUGZ-CQSZACIVSA-N
MW341.46 g/mol
LogP3.21
Rot. Bonds5

About 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea

1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea (PubChem CID 126441251) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
PubChem CID126441251
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
SMILESCOc1ccc2cc([C@@H](C)NC(=O)NCC3CCNCC3)ccc2c1
InChIInChI=1S/C20H27N3O2/c1-14(23-20(24)22-13-15-7-9-21-10-8-15)16-3-4-18-12-19(25-2)6-5-17(18)11-16/h3-6,11-12,14-15,21H,7-10,13H2,1-2H3,(H2,22,23,24)/t14-/m1/s1
InChIKeyQJEJWSNAGJIUGZ-CQSZACIVSA-N
XLogP3.21
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea (CID 126441251) is 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea is COc1ccc2cc([C@@H](C)NC(=O)NCC3CCNCC3)ccc2c1.
What is the InChIKey of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea?
The InChIKey is QJEJWSNAGJIUGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(23-20(24)22-13-15-7-9-21-10-8-15)16-3-4-18-12-19(25-2)6-5-17(18)11-16/h3-6,11-12,14-15,21H,7-10,13H2,1-2H3,(H2,22,23,24)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea?
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea has a molecular weight of 341.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 126441251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).