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

C18H29N3O2 — CID 3604544

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
SMILESCN1CCN(CC1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3
InChIInChI=1S/C18H29N3O2/c1-20-2-4-21(5-3-20)16(22)12-19-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,2-12H2,1H3,(H,19,23)
InChIKeyGZSMUKBKXGBVEB-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.50
Rot. Bonds3

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

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 3604544) has the molecular formula C18H29N3O2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
PubChem CID3604544
Molecular FormulaC18H29N3O2
Molecular Weight319.40 g/mol
Exact Mass319.23
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide
SMILESCN1CCN(CC1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3
InChIInChI=1S/C18H29N3O2/c1-20-2-4-21(5-3-20)16(22)12-19-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,2-12H2,1H3,(H,19,23)
InChIKeyGZSMUKBKXGBVEB-UHFFFAOYSA-N
XLogP1.50
TPSA52.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity455

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Adamantan-1-yl-(4-ethyl-piperazin-1-yl)-methanone
CID 4348598
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-methylacetamide
CID 23645895
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxo-ethyl]prop-2-enamide (3e)
CID 73775527
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
N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 11659300
Adamantan-1-yl-(4-methyl-piperazin-1-yl)-methanone
CID 2827468
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide (CID 3604544) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide is CN1CCN(CC1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is GZSMUKBKXGBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20-2-4-21(5-3-20)16(22)12-19-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,2-12H2,1H3,(H,19,23).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 3604544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).