3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea

C21H29N3O3 — CID 172737581

IUPAC3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea
SMILESCONC(=O)N(C(C)c1ccc(OC)c2ccccc12)[C@H]1CCCCN1C
InChIInChI=1S/C21H29N3O3/c1-15(16-12-13-19(26-3)18-10-6-5-9-17(16)18)24(21(25)22-27-4)20-11-7-8-14-23(20)2/h5-6,9-10,12-13,15,20H,7-8,11,14H2,1-4H3,(H,22,25)/t15?,20-/m0/s1
InChIKeyIQOUOCSCKCSJJL-MBABXSBOSA-N
MW371.48 g/mol
LogP3.92
Rot. Bonds5

About 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea

3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea (PubChem CID 172737581) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea.

Molecular Properties

Compound Name3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea
PubChem CID172737581
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea
SMILESCONC(=O)N(C(C)c1ccc(OC)c2ccccc12)[C@H]1CCCCN1C
InChIInChI=1S/C21H29N3O3/c1-15(16-12-13-19(26-3)18-10-6-5-9-17(16)18)24(21(25)22-27-4)20-11-7-8-14-23(20)2/h5-6,9-10,12-13,15,20H,7-8,11,14H2,1-4H3,(H,22,25)/t15?,20-/m0/s1
InChIKeyIQOUOCSCKCSJJL-MBABXSBOSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 72673296
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide
CID 74231876
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
3-[1-[2,3-bis(chloromethoxy)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-2-yl)urea
CID 172745026
3-[1-[2,3-bis(chloromethoxy)phenyl]ethyl]-1-hydroxy-1-[(2R)-1-methylpiperidin-2-yl]urea
CID 172750824
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea?
The IUPAC name of 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea (CID 172737581) is 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea.
What is the SMILES notation for 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea?
The canonical SMILES for 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea is CONC(=O)N(C(C)c1ccc(OC)c2ccccc12)[C@H]1CCCCN1C.
What is the InChIKey of 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea?
The InChIKey is IQOUOCSCKCSJJL-MBABXSBOSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(16-12-13-19(26-3)18-10-6-5-9-17(16)18)24(21(25)22-27-4)20-11-7-8-14-23(20)2/h5-6,9-10,12-13,15,20H,7-8,11,14H2,1-4H3,(H,22,25)/t15?,20-/m0/s1.
What are the key properties of 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea?
3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea has a molecular weight of 371.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-[(2S)-1-methylpiperidin-2-yl]urea is sourced from PubChem (CID 172737581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).