1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide

C14H20N4O — CID 3223400

IUPAC1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C14H20N4O/c1-3-7-15-13(19)12-5-4-9-18(10-12)14-16-8-6-11(2)17-14/h3,6,8,12H,1,4-5,7,9-10H2,2H3,(H,15,19)
InChIKeyCBSSDWZEGPNAJQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide

1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 3223400) 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-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID3223400
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C14H20N4O/c1-3-7-15-13(19)12-5-4-9-18(10-12)14-16-8-6-11(2)17-14/h3,6,8,12H,1,4-5,7,9-10H2,2H3,(H,15,19)
InChIKeyCBSSDWZEGPNAJQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide (CID 3223400) is 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is CBSSDWZEGPNAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-7-15-13(19)12-5-4-9-18(10-12)14-16-8-6-11(2)17-14/h3,6,8,12H,1,4-5,7,9-10H2,2H3,(H,15,19).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-prop-2-enylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 3223400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).