4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide

C16H30N2O — CID 62718225

IUPAC4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2CCCNC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyORGPBMFYNZSLGB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.71
Rot. Bonds2

About 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide

4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide (PubChem CID 62718225) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide
PubChem CID62718225
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NC2CCCNC2)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h12-14,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyORGPBMFYNZSLGB-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylcyclohexyl)piperidine-3-carboxamide
CID 140506457
4-methyl-N-piperidin-3-ylcyclohexane-1-carboxamide
CID 81470564
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
3,3-difluoro-N-piperidin-3-ylcyclobutane-1-carboxamide
CID 119428759
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995414
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 43389301
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
4-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 55517058
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
N-piperidin-3-ylpropanamide
CID 3520588

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide (CID 62718225) is 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NC2CCCNC2)CC1.
What is the InChIKey of 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide?
The InChIKey is ORGPBMFYNZSLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h12-14,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide?
4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-piperidin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62718225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).