N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide

C24H39N3O2 — CID 7470850

IUPACN-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
SMILESCN1CCN(C(=O)[C@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H39N3O2/c1-26-7-9-27(10-8-26)23(29)21(25-22(28)20-5-3-2-4-6-20)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3,(H,25,28)/t17?,18?,19?,21-,24?/m0/s1
InChIKeyBODPZWLRXFVIBB-IOFSEFHDSA-N
MW401.60 g/mol
LogP3.04
Rot. Bonds4

About N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide

N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 7470850) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID7470850
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC NameN-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide
SMILESCN1CCN(C(=O)[C@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H39N3O2/c1-26-7-9-27(10-8-26)23(29)21(25-22(28)20-5-3-2-4-6-20)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3,(H,25,28)/t17?,18?,19?,21-,24?/m0/s1
InChIKeyBODPZWLRXFVIBB-IOFSEFHDSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 2953480
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
N-[(1R)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 7470935
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 92687204
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 7345351
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
CID 29439895
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
CID 7149964

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide (CID 7470850) is N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide is CN1CCN(C(=O)[C@H](NC(=O)C2CCCCC2)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is BODPZWLRXFVIBB-IOFSEFHDSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-26-7-9-27(10-8-26)23(29)21(25-22(28)20-5-3-2-4-6-20)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3,(H,25,28)/t17?,18?,19?,21-,24?/m0/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide?
N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 401.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7470850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).