1-(2-methylprop-2-enyl)piperidine-4-carboxamide

C10H18N2O — CID 47012778

IUPAC1-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O/c1-8(2)7-12-5-3-9(4-6-12)10(11)13/h9H,1,3-7H2,2H3,(H2,11,13)
InChIKeyOVSQHFNFIYVHNT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-methylprop-2-enyl)piperidine-4-carboxamide

1-(2-methylprop-2-enyl)piperidine-4-carboxamide (PubChem CID 47012778) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)piperidine-4-carboxamide
PubChem CID47012778
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O/c1-8(2)7-12-5-3-9(4-6-12)10(11)13/h9H,1,3-7H2,2H3,(H2,11,13)
InChIKeyOVSQHFNFIYVHNT-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethylpiperidine-4-carboxamide
CID 567825
1,1-Dimethylpiperidin-1-ium-4-carboxamide
CID 44335251
1-Pentyl-4-piperidinecarboxamide
CID 4184048
1-Propylpiperidine-4-carboxamide
CID 18678413
Cambridge id 6578834
CID 762851
1-Isopentyl-4-piperidinecarboxamide
CID 3261367
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
2-[1-(2-Methylprop-2-enyl)piperidin-4-yl]acetamide
CID 53516289
1-Hexylpiperidine-4-carboxamide
CID 5105500
4-Piperidinecarboxamide, 1-butyl-
CID 9989938
1-(2-Cyanoprop-2-enyl)piperidine-4-carboxamide
CID 13037607
N-(n-Butyl)-1-(2-cyano-2-propenyl)-4-piperidinecarboxamide
CID 13041038

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylprop-2-enyl)piperidine-4-carboxamide (CID 47012778) is 1-(2-methylprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylprop-2-enyl)piperidine-4-carboxamide is C=C(C)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is OVSQHFNFIYVHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)7-12-5-3-9(4-6-12)10(11)13/h9H,1,3-7H2,2H3,(H2,11,13).
What are the key properties of 1-(2-methylprop-2-enyl)piperidine-4-carboxamide?
1-(2-methylprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 47012778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).