1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide

C19H34N2O2 — CID 17148678

IUPAC1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-5-19(3,4)16-6-8-17(9-7-16)20-18(23)15-10-12-21(13-11-15)14(2)22/h15-17H,5-13H2,1-4H3,(H,20,23)
InChIKeyQSQDHDSGWVOTTA-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.36
Rot. Bonds4

About 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide

1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 17148678) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
PubChem CID17148678
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-5-19(3,4)16-6-8-17(9-7-16)20-18(23)15-10-12-21(13-11-15)14(2)22/h15-17H,5-13H2,1-4H3,(H,20,23)
InChIKeyQSQDHDSGWVOTTA-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide (CID 17148678) is 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is QSQDHDSGWVOTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-5-19(3,4)16-6-8-17(9-7-16)20-18(23)15-10-12-21(13-11-15)14(2)22/h15-17H,5-13H2,1-4H3,(H,20,23).
What are the key properties of 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 17148678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).