1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea

C27H41N3O — CID 22393376

IUPAC1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
SMILESO=C(NCCCN1CCCC(CCc2ccccc2)C1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H41N3O/c31-26(29-27-17-23-14-24(18-27)16-25(15-23)19-27)28-11-5-13-30-12-4-8-22(20-30)10-9-21-6-2-1-3-7-21/h1-3,6-7,22-25H,4-5,8-20H2,(H2,28,29,31)
InChIKeyPCCQCOHIOVPLCW-UHFFFAOYSA-N
MW423.65 g/mol
LogP4.99
Rot. Bonds8

About 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea

1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea (PubChem CID 22393376) has the molecular formula C27H41N3O and a molecular weight of 423.65 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
PubChem CID22393376
Molecular FormulaC27H41N3O
Molecular Weight423.65 g/mol
Exact Mass423.32
IUPAC Name1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
SMILESO=C(NCCCN1CCCC(CCc2ccccc2)C1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H41N3O/c31-26(29-27-17-23-14-24(18-27)16-25(15-23)19-27)28-11-5-13-30-12-4-8-22(20-30)10-9-21-6-2-1-3-7-21/h1-3,6-7,22-25H,4-5,8-20H2,(H2,28,29,31)
InChIKeyPCCQCOHIOVPLCW-UHFFFAOYSA-N
XLogP4.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]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-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
CID 22393346
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-[3-(3-benzylpiperidin-1-yl)propyl]-3-(3-ethoxyphenyl)urea
CID 70135068
1-(1-adamantyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108896104
(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
CID 142125213
N-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]adamantane-1-carboxamide
CID 37033363
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea (CID 22393376) is 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea is O=C(NCCCN1CCCC(CCc2ccccc2)C1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
The InChIKey is PCCQCOHIOVPLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O/c31-26(29-27-17-23-14-24(18-27)16-25(15-23)19-27)28-11-5-13-30-12-4-8-22(20-30)10-9-21-6-2-1-3-7-21/h1-3,6-7,22-25H,4-5,8-20H2,(H2,28,29,31).
What are the key properties of 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea?
1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea has a molecular weight of 423.65 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).