[1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane

C53H107N5O4 — CID 160637069

IUPAC[1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane
SMILESC.C.C.C.CC(C)(C)CC1(C(=O)N2CCNCC2)CCCCC1.CC(C)(C)CC1(C(=O)N2CCOCC2)CCCCC1.CN1CCN(C(=O)C2(CC(C)(C)C)CCCCC2)CC1
InChIInChI=1S/C17H32N2O.C16H30N2O.C16H29NO2.4CH4/c1-16(2,3)14-17(8-6-5-7-9-17)15(20)19-12-10-18(4)11-13-19;1-15(2,3)13-16(7-5-4-6-8-16)14(19)18-11-9-17-10-12-18;1-15(2,3)13-16(7-5-4-6-8-16)14(18)17-9-11-19-12-10-17;;;;/h5-14H2,1-4H3;17H,4-13H2,1-3H3;4-13H2,1-3H3;4*1H4
InChIKeyRIRBBJLICIJPMF-UHFFFAOYSA-N
MW878.47 g/mol
LogP11.73
Rot. Bonds6

About [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane

[1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane (PubChem CID 160637069) has the molecular formula C53H107N5O4 and a molecular weight of 878.47 g/mol. Its IUPAC name is [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane.

Molecular Properties

Compound Name[1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane
PubChem CID160637069
Molecular FormulaC53H107N5O4
Molecular Weight878.47 g/mol
Exact Mass877.83
IUPAC Name[1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane
SMILESC.C.C.C.CC(C)(C)CC1(C(=O)N2CCNCC2)CCCCC1.CC(C)(C)CC1(C(=O)N2CCOCC2)CCCCC1.CN1CCN(C(=O)C2(CC(C)(C)C)CCCCC2)CC1
InChIInChI=1S/C17H32N2O.C16H30N2O.C16H29NO2.4CH4/c1-16(2,3)14-17(8-6-5-7-9-17)15(20)19-12-10-18(4)11-13-19;1-15(2,3)13-16(7-5-4-6-8-16)14(19)18-11-9-17-10-12-18;1-15(2,3)13-16(7-5-4-6-8-16)14(18)17-9-11-19-12-10-17;;;;/h5-14H2,1-4H3;17H,4-13H2,1-3H3;4-13H2,1-3H3;4*1H4
InChIKeyRIRBBJLICIJPMF-UHFFFAOYSA-N
XLogP11.73
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.47
LogP ≤ 511.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane with MolForge

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Related Compounds

2-(1-adamantyl)-N-[2-(4-morpholinyl)ethyl]acetamide
CID 2940569
adamantanyl-N-(2-morpholin-4-ylethyl)carboxamide
CID 2862149
Cambridge id 5690440
CID 2862148
N-[3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 30208000
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 30208148
1-(4-Tert-butylpiperazin-1-yl)-12-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]-6,6,9,12-tetramethyl-9-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]amino]tridecan-1-one
CID 134414398
[1-(2,2-Dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone
CID 157246400
1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane
CID 162006602
N~2~-(1-adamantylacetyl)-N~1~-[2-(4-morpholinyl)ethyl]glycinamide hydrochloride
CID 2994899
N-(2-morpholin-4-ium-4-ylethyl)adamantane-1-carboxamide
CID 3468416
3,5,7-trimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)adamantane-1-carboxamide
CID 5120358
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
CID 6469146

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane?
The IUPAC name of [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane (CID 160637069) is [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane.
What is the SMILES notation for [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane?
The canonical SMILES for [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane is C.C.C.C.CC(C)(C)CC1(C(=O)N2CCNCC2)CCCCC1.CC(C)(C)CC1(C(=O)N2CCOCC2)CCCCC1.CN1CCN(C(=O)C2(CC(C)(C)C)CCCCC2)CC1.
What is the InChIKey of [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane?
The InChIKey is RIRBBJLICIJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.C16H30N2O.C16H29NO2.4CH4/c1-16(2,3)14-17(8-6-5-7-9-17)15(20)19-12-10-18(4)11-13-19;1-15(2,3)13-16(7-5-4-6-8-16)14(19)18-11-9-17-10-12-18;1-15(2,3)13-16(7-5-4-6-8-16)14(18)17-9-11-19-12-10-17;;;;/h5-14H2,1-4H3;17H,4-13H2,1-3H3;4-13H2,1-3H3;4*1H4.
What are the key properties of [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane?
[1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane has a molecular weight of 878.47 g/mol, XLogP of 11.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane is sourced from PubChem (CID 160637069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).