1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one

C22H40N2O2 — CID 170668356

IUPAC1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one
SMILESCN(C1CCN(C(=O)C2CCC(C(=O)C(C)(C)C)CC2)CC1)C(C)(C)C
InChIInChI=1S/C22H40N2O2/c1-21(2,3)19(25)16-8-10-17(11-9-16)20(26)24-14-12-18(13-15-24)23(7)22(4,5)6/h16-18H,8-15H2,1-7H3
InChIKeyWWKRTOLCHMKRON-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.13
Rot. Bonds3

About 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one

1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one (PubChem CID 170668356) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one
PubChem CID170668356
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one
SMILESCN(C1CCN(C(=O)C2CCC(C(=O)C(C)(C)C)CC2)CC1)C(C)(C)C
InChIInChI=1S/C22H40N2O2/c1-21(2,3)19(25)16-8-10-17(11-9-16)20(26)24-14-12-18(13-15-24)23(7)22(4,5)6/h16-18H,8-15H2,1-7H3
InChIKeyWWKRTOLCHMKRON-UHFFFAOYSA-N
XLogP4.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 163870468
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 171445163
(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 118533445
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 175871812
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
1-[4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807307

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one (CID 170668356) is 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one is CN(C1CCN(C(=O)C2CCC(C(=O)C(C)(C)C)CC2)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one?
The InChIKey is WWKRTOLCHMKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-21(2,3)19(25)16-8-10-17(11-9-16)20(26)24-14-12-18(13-15-24)23(7)22(4,5)6/h16-18H,8-15H2,1-7H3.
What are the key properties of 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one?
1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one has a molecular weight of 364.57 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[tert-butyl(methyl)amino]piperidine-1-carbonyl]cyclohexyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 170668356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).