4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide

C13H24N2O — CID 18713027

IUPAC4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide
SMILESC=C(CC1CCN(C(N)=O)CC1)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-10(13(2,3)4)9-11-5-7-15(8-6-11)12(14)16/h11H,1,5-9H2,2-4H3,(H2,14,16)
InChIKeyPJMWDZYRQDVOAL-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.77
Rot. Bonds2

About 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide

4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide (PubChem CID 18713027) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide
PubChem CID18713027
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide
SMILESC=C(CC1CCN(C(N)=O)CC1)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-10(13(2,3)4)9-11-5-7-15(8-6-11)12(14)16/h11H,1,5-9H2,2-4H3,(H2,14,16)
InChIKeyPJMWDZYRQDVOAL-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
CID 119727585
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
4-(methylamino)piperidine-1-carboxamide
CID 43754889
tert-butyl 4-(2-ethoxycarbonylprop-2-enyl)piperidine-1-carboxylate
CID 154612879
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999
tert-butyl 4-[(2E)-2-amino-2-hydroxyiminoethyl]piperidine-1-carboxylate
CID 83488593
4-sulfanylpiperidine-1-carboxamide
CID 165469353
3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 89453120
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide (CID 18713027) is 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide is C=C(CC1CCN(C(N)=O)CC1)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide?
The InChIKey is PJMWDZYRQDVOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(13(2,3)4)9-11-5-7-15(8-6-11)12(14)16/h11H,1,5-9H2,2-4H3,(H2,14,16).
What are the key properties of 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide?
4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-methylidenebutyl)piperidine-1-carboxamide is sourced from PubChem (CID 18713027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).