1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide

C19H36N2O2 — CID 27243583

IUPAC1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H36N2O2/c1-6-7-8-9-10-15(2)20-17(22)16-11-13-21(14-12-16)18(23)19(3,4)5/h15-16H,6-14H2,1-5H3,(H,20,22)/t15-/m1/s1
InChIKeyVNXNLSNTLQXTLJ-OAHLLOKOSA-N
MW324.51 g/mol
LogP3.75
Rot. Bonds7

About 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide (PubChem CID 27243583) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide
PubChem CID27243583
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H36N2O2/c1-6-7-8-9-10-15(2)20-17(22)16-11-13-21(14-12-16)18(23)19(3,4)5/h15-16H,6-14H2,1-5H3,(H,20,22)/t15-/m1/s1
InChIKeyVNXNLSNTLQXTLJ-OAHLLOKOSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 115653928
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide (CID 27243583) is 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide is CCCCCC[C@@H](C)NC(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide?
The InChIKey is VNXNLSNTLQXTLJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-6-7-8-9-10-15(2)20-17(22)16-11-13-21(14-12-16)18(23)19(3,4)5/h15-16H,6-14H2,1-5H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide has a molecular weight of 324.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(2R)-octan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 27243583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).