1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea

C19H31N3O3 — CID 25073904

IUPAC1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
SMILESCOCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31N3O3/c1-25-12-17(23)22-4-2-16(3-5-22)20-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,2-12H2,1H3,(H2,20,21,24)
InChIKeyZINBKECHKHVAJX-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.89
Rot. Bonds4

About 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea

1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea (PubChem CID 25073904) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
PubChem CID25073904
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea
SMILESCOCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31N3O3/c1-25-12-17(23)22-4-2-16(3-5-22)20-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,2-12H2,1H3,(H2,20,21,24)
InChIKeyZINBKECHKHVAJX-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-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

4-(1-adamantylcarbamoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3220721
1-(1-adamantyl)-3-cyclopropylurea
CID 3128946
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
CID 145315254
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea (CID 25073904) is 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea is COCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea?
The InChIKey is ZINBKECHKHVAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-25-12-17(23)22-4-2-16(3-5-22)20-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,2-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea?
1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea has a molecular weight of 349.48 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[1-(2-methoxyacetyl)piperidin-4-yl]urea is sourced from PubChem (CID 25073904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).