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

C22H40N2O2 — CID 122679808

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H40N2O2/c1-7-19(25)24-14-10-17(11-15-24)20(26)23-18-8-12-22(13-9-18,16(2)3)21(4,5)6/h16-18H,7-15H2,1-6H3,(H,23,26)
InChIKeyIIKZUICMUUHKCW-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.38
Rot. Bonds4

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

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide (PubChem CID 122679808) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide
PubChem CID122679808
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H40N2O2/c1-7-19(25)24-14-10-17(11-15-24)20(26)23-18-8-12-22(13-9-18,16(2)3)21(4,5)6/h16-18H,7-15H2,1-6H3,(H,23,26)
InChIKeyIIKZUICMUUHKCW-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide (CID 122679808) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)NC2CCC(C(C)C)(C(C)(C)C)CC2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide?
The InChIKey is IIKZUICMUUHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-7-19(25)24-14-10-17(11-15-24)20(26)23-18-8-12-22(13-9-18,16(2)3)21(4,5)6/h16-18H,7-15H2,1-6H3,(H,23,26).
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-propanoylpiperidine-4-carboxamide has a molecular weight of 364.57 g/mol, XLogP of 4.38, 4 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-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 122679808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).