N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide

C20H29N3O4 — CID 171342426

IUPACN-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H29N3O4/c1-13(24)18(26)21-12-17(25)22-2-4-23(5-3-22)19(27)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,2-12H2,1H3,(H,21,26)
InChIKeyFJNNXSIPWWGDAC-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.58
Rot. Bonds4

About N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide

N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide (PubChem CID 171342426) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide
PubChem CID171342426
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C20H29N3O4/c1-13(24)18(26)21-12-17(25)22-2-4-23(5-3-22)19(27)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,2-12H2,1H3,(H,21,26)
InChIKeyFJNNXSIPWWGDAC-UHFFFAOYSA-N
XLogP0.58
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Adamantane-1-carbonyl)-4-ethylpiperazine
CID 4348598
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-2-chloro-acetamide (6o)
CID 73775528
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
1-(Adamantane-1-carbonyl)-4-methylpiperazine
CID 2827468
Acyl piperidine derivative 3
CID 73775396
[2-[[2-[4-(Adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]-dimethyl-sulfonium bromide (1e)
CID 73775398
(3,5-Dimethyl-adamantan-1-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 2842992
1-[2-(Adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
CID 4782419
1-(1-Adamantyl)-2-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 6602730
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
CID 3604544

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide?
The IUPAC name of N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide (CID 171342426) is N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide?
The canonical SMILES for N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide is CC(=O)C(=O)NCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide?
The InChIKey is FJNNXSIPWWGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-13(24)18(26)21-12-17(25)22-2-4-23(5-3-22)19(27)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-16H,2-12H2,1H3,(H,21,26).
What are the key properties of N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide?
N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide has a molecular weight of 375.47 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-oxopropanamide is sourced from PubChem (CID 171342426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).