N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide

C21H38N2O — CID 122679830

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide
SMILESC=C1CC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CCN1C
InChIInChI=1S/C21H38N2O/c1-15(2)21(20(4,5)6)11-8-18(9-12-21)22-19(24)17-10-13-23(7)16(3)14-17/h15,17-18H,3,8-14H2,1-2,4-7H3,(H,22,24)
InChIKeyHBBKJGXWRXHZJF-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.59
Rot. Bonds3

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide (PubChem CID 122679830) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide
PubChem CID122679830
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide
SMILESC=C1CC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CCN1C
InChIInChI=1S/C21H38N2O/c1-15(2)21(20(4,5)6)11-8-18(9-12-21)22-19(24)17-10-13-23(7)16(3)14-17/h15,17-18H,3,8-14H2,1-2,4-7H3,(H,22,24)
InChIKeyHBBKJGXWRXHZJF-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 17148678
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide
CID 122679808
1-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 122679827
4-[2-[1-(1-methylpiperidin-4-yl)ethenylamino]propyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 139475314
(Z)-4-amino-5-(methylamino)-N-(6-methylcycloundecyl)pent-4-enamide
CID 156315317
2-methyl-N-[4-[[4-(3-methylbut-1-en-2-ylamino)cyclohexyl]methyl]cyclohexyl]propanamide
CID 170379340
Ethane;[4-(methylamino)piperidin-1-yl]-[4-[2-(methylamino)prop-2-enyl]cyclohexyl]methanone;propane
CID 178647856
Ethane;[4-(ethylamino)piperidin-1-yl]-[4-[2-(propan-2-ylamino)prop-2-enyl]cyclohexyl]methanone
CID 178648923
1-(2,2-dimethylpropanoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 33295250
N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 43698522
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 63121833
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 133818460

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide (CID 122679830) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide is C=C1CC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CCN1C.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide?
The InChIKey is HBBKJGXWRXHZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-15(2)21(20(4,5)6)11-8-18(9-12-21)22-19(24)17-10-13-23(7)16(3)14-17/h15,17-18H,3,8-14H2,1-2,4-7H3,(H,22,24).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide has a molecular weight of 334.55 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methyl-2-methylidenepiperidine-4-carboxamide is sourced from PubChem (CID 122679830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).