3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide

C17H28N2O3 — CID 21301388

IUPAC3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)C2CCCC(C(N)=O)C2)C1
InChIInChI=1S/C17H28N2O3/c1-11(2)17(22)19-8-4-7-14(10-19)15(20)12-5-3-6-13(9-12)16(18)21/h11-14H,3-10H2,1-2H3,(H2,18,21)
InChIKeyUVZJHDSXVQCBQA-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.74
Rot. Bonds4

About 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide

3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide (PubChem CID 21301388) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide
PubChem CID21301388
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide
SMILESCC(C)C(=O)N1CCCC(C(=O)C2CCCC(C(N)=O)C2)C1
InChIInChI=1S/C17H28N2O3/c1-11(2)17(22)19-8-4-7-14(10-19)15(20)12-5-3-6-13(9-12)16(18)21/h11-14H,3-10H2,1-2H3,(H2,18,21)
InChIKeyUVZJHDSXVQCBQA-UHFFFAOYSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
1-[3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43419670
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide (CID 21301388) is 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide is CC(C)C(=O)N1CCCC(C(=O)C2CCCC(C(N)=O)C2)C1.
What is the InChIKey of 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide?
The InChIKey is UVZJHDSXVQCBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-11(2)17(22)19-8-4-7-14(10-19)15(20)12-5-3-6-13(9-12)16(18)21/h11-14H,3-10H2,1-2H3,(H2,18,21).
What are the key properties of 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide?
3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropanoyl)piperidine-3-carbonyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 21301388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).