1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea

C21H29N3O3 — CID 72673296

IUPAC1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCOc1ccc(C(C)NC(=O)N(OC)C2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C21H29N3O3/c1-15(17-9-10-20(26-3)19-8-6-5-7-18(17)19)22-21(25)24(27-4)16-11-13-23(2)14-12-16/h5-10,15-16H,11-14H2,1-4H3,(H,22,25)
InChIKeyQGQUXZBKNRCHQN-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.58
Rot. Bonds5

About 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea

1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea (PubChem CID 72673296) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea
PubChem CID72673296
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea
SMILESCOc1ccc(C(C)NC(=O)N(OC)C2CCN(C)CC2)c2ccccc12
InChIInChI=1S/C21H29N3O3/c1-15(17-9-10-20(26-3)19-8-6-5-7-18(17)19)22-21(25)24(27-4)16-11-13-23(2)14-12-16/h5-10,15-16H,11-14H2,1-4H3,(H,22,25)
InChIKeyQGQUXZBKNRCHQN-UHFFFAOYSA-N
XLogP3.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea (CID 72673296) is 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea is COc1ccc(C(C)NC(=O)N(OC)C2CCN(C)CC2)c2ccccc12.
What is the InChIKey of 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is QGQUXZBKNRCHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(17-9-10-20(26-3)19-8-6-5-7-18(17)19)22-21(25)24(27-4)16-11-13-23(2)14-12-16/h5-10,15-16H,11-14H2,1-4H3,(H,22,25).
What are the key properties of 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea?
1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 371.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 72673296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).