1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

C14H20N4O — CID 3223198

IUPAC1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C14H20N4O/c1-3-7-15-13(19)12-5-9-18(10-6-12)14-16-8-4-11(2)17-14/h3-4,8,12H,1,5-7,9-10H2,2H3,(H,15,19)
InChIKeyORJLHNFVYUZFDL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide

1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 3223198) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID3223198
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C14H20N4O/c1-3-7-15-13(19)12-5-9-18(10-6-12)14-16-8-4-11(2)17-14/h3-4,8,12H,1,5-7,9-10H2,2H3,(H,15,19)
InChIKeyORJLHNFVYUZFDL-UHFFFAOYSA-N
XLogP1.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 3223198) is 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is ORJLHNFVYUZFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-7-15-13(19)12-5-9-18(10-6-12)14-16-8-4-11(2)17-14/h3-4,8,12H,1,5-7,9-10H2,2H3,(H,15,19).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 3223198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).