N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide

C26H38N4O2 — CID 55695142

IUPACN-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
SMILESCC(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H38N4O2/c1-19(29-7-9-30(10-8-29)23-5-3-2-4-6-23)17-27-24(31)18-28-25(32)26-14-20-11-21(15-26)13-22(12-20)16-26/h2-6,19-22H,7-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyCVCCADQRKJLIAY-UHFFFAOYSA-N
MW438.62 g/mol
LogP2.65
Rot. Bonds7

About N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide

N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide (PubChem CID 55695142) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
PubChem CID55695142
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
SMILESCC(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H38N4O2/c1-19(29-7-9-30(10-8-29)23-5-3-2-4-6-23)17-27-24(31)18-28-25(32)26-14-20-11-21(15-26)13-22(12-20)16-26/h2-6,19-22H,7-18H2,1H3,(H,27,31)(H,28,32)
InChIKeyCVCCADQRKJLIAY-UHFFFAOYSA-N
XLogP2.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide 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

N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55521489
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide (CID 55695142) is N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide is CC(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide?
The InChIKey is CVCCADQRKJLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-19(29-7-9-30(10-8-29)23-5-3-2-4-6-23)17-27-24(31)18-28-25(32)26-14-20-11-21(15-26)13-22(12-20)16-26/h2-6,19-22H,7-18H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide?
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55695142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).