N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide

C13H24N2O — CID 108911412

IUPACN-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N/C=C/C(C)(C)C)C1
InChIInChI=1S/C13H24N2O/c1-11-6-5-9-15(10-11)12(16)14-8-7-13(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,16)/b8-7+
InChIKeyKOUKVNRYUSGFIE-BQYQJAHWSA-N
MW224.35 g/mol
LogP2.99
Rot. Bonds1

About N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide

N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide (PubChem CID 108911412) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
PubChem CID108911412
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N/C=C/C(C)(C)C)C1
InChIInChI=1S/C13H24N2O/c1-11-6-5-9-15(10-11)12(16)14-8-7-13(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,16)/b8-7+
InChIKeyKOUKVNRYUSGFIE-BQYQJAHWSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide
CID 108911524
N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
CID 108908820
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide
CID 108911477
N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357
3-methylpiperidine-1-carboxylic acid
CID 22047728
1-buta-1,3-dien-2-yl-3-methylpiperidine
CID 145201276

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide (CID 108911412) is N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)N/C=C/C(C)(C)C)C1.
What is the InChIKey of N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is KOUKVNRYUSGFIE-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-6-5-9-15(10-11)12(16)14-8-7-13(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,14,16)/b8-7+.
What are the key properties of N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide?
N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108911412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).