1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide

C18H27N5O — CID 53170495

IUPAC1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C18H27N5O/c1-2-8-19-18(24)15-6-11-23(12-7-15)17-13-16(20-14-21-17)22-9-4-3-5-10-22/h2,13-15H,1,3-12H2,(H,19,24)
InChIKeyOWARLOFKGZTLNQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.99
Rot. Bonds5

About 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide

1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 53170495) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID53170495
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C18H27N5O/c1-2-8-19-18(24)15-6-11-23(12-7-15)17-13-16(20-14-21-17)22-9-4-3-5-10-22/h2,13-15H,1,3-12H2,(H,19,24)
InChIKeyOWARLOFKGZTLNQ-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 53170495) is 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is OWARLOFKGZTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-2-8-19-18(24)15-6-11-23(12-7-15)17-13-16(20-14-21-17)22-9-4-3-5-10-22/h2,13-15H,1,3-12H2,(H,19,24).
What are the key properties of 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 53170495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).