N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C18H32N2O2 — CID 109146258

IUPACN-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCN(C(=O)C2CCC(C(=O)NC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H32N2O2/c1-13-9-11-20(12-10-13)17(22)15-7-5-14(6-8-15)16(21)19-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyVBJNSNVGKADPKF-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.97
Rot. Bonds2

About N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109146258) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109146258
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCN(C(=O)C2CCC(C(=O)NC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H32N2O2/c1-13-9-11-20(12-10-13)17(22)15-7-5-14(6-8-15)16(21)19-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyVBJNSNVGKADPKF-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145402
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
4-N-tert-butyl-1-N-cyclopropylpiperidine-1,4-dicarboxamide
CID 47238287
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109146258) is N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CCN(C(=O)C2CCC(C(=O)NC(C)(C)C)CC2)CC1.
What is the InChIKey of N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is VBJNSNVGKADPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13-9-11-20(12-10-13)17(22)15-7-5-14(6-8-15)16(21)19-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109146258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).