N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide

C26H35N3O3 — CID 32772042

IUPACN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-2-18-3-5-22(6-4-18)24(31)29-9-7-28(8-10-29)23(30)17-27-25(32)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,19-21H,2,7-17H2,1H3,(H,27,32)
InChIKeyPAACAPNWAFDQMF-UHFFFAOYSA-N
MW437.58 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 32772042) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID32772042
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C26H35N3O3/c1-2-18-3-5-22(6-4-18)24(31)29-9-7-28(8-10-29)23(30)17-27-25(32)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,19-21H,2,7-17H2,1H3,(H,27,32)
InChIKeyPAACAPNWAFDQMF-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]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-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 38910053
ethyl 4-[2-(adamantane-1-carbonylamino)acetyl]piperazine-1-carboxylate
CID 3971663
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
N-[2-(7-acetyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxoethyl]adamantane-1-carboxamide
CID 75361936
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 55591893
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
N-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 31328827
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4272952
N-[2-oxo-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 3278444
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
CID 39951386
N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4876133
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32771555

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide (CID 32772042) is N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide is CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is PAACAPNWAFDQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-2-18-3-5-22(6-4-18)24(31)29-9-7-28(8-10-29)23(30)17-27-25(32)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,19-21H,2,7-17H2,1H3,(H,27,32).
What are the key properties of N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 32772042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).