4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide

C14H24N2O2 — CID 122675582

IUPAC4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide
SMILESC=C(C)N1CCC(C(N)=O)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H24N2O2/c1-10(2)16-8-6-14(7-9-16,12(15)18)11(17)13(3,4)5/h1,6-9H2,2-5H3,(H2,15,18)
InChIKeyCMVPWJDDRGUEPI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds3

About 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide

4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide (PubChem CID 122675582) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide
PubChem CID122675582
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide
SMILESC=C(C)N1CCC(C(N)=O)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H24N2O2/c1-10(2)16-8-6-14(7-9-16,12(15)18)11(17)13(3,4)5/h1,6-9H2,2-5H3,(H2,15,18)
InChIKeyCMVPWJDDRGUEPI-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-4-carbamoylpiperidine-4-carboxylic acid
CID 118207938
(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
CID 130230324
4-tert-butyl-4-methoxy-1-prop-1-en-2-ylazepane
CID 163870481
1-(2,2-dimethylpropanoyl)cyclopentane-1-carboxylic acid
CID 170443189
prop-1-en-2-amine;yttrium
CID 158882655
1-prop-1-en-2-ylpiperidine
CID 12570653
1-(2,2-dimethylpropanoyl)cyclohexane-1-carboxylic acid
CID 58728065
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 81103870
tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-1-en-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 59865517
4-hydroxy-4-propan-2-ylpiperidine-1-carboxamide
CID 118103374
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
4-chloro-1-prop-1-en-2-ylpiperidine
CID 11367163

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide (CID 122675582) is 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide is C=C(C)N1CCC(C(N)=O)(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide?
The InChIKey is CMVPWJDDRGUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-8-6-14(7-9-16,12(15)18)11(17)13(3,4)5/h1,6-9H2,2-5H3,(H2,15,18).
What are the key properties of 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide?
4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 122675582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).