1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide

C17H28N2O2 — CID 47998464

IUPAC1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H28N2O2/c1-6-10-18(11-7-2)15(20)14-9-8-12-19(13-14)16(21)17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyKBBJFGSVZOBJSN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide (PubChem CID 47998464) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
PubChem CID47998464
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H28N2O2/c1-6-10-18(11-7-2)15(20)14-9-8-12-19(13-14)16(21)17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyKBBJFGSVZOBJSN-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119554865
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119554864
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide (CID 47998464) is 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide is C=CCN(CC=C)C(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
The InChIKey is KBBJFGSVZOBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-10-18(11-7-2)15(20)14-9-8-12-19(13-14)16(21)17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 47998464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).