2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide

C20H24N4O — CID 109247732

IUPAC2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C20H24N4O/c1-2-10-21-19(25)18-14-22-20(23-15-18)24-11-8-17(9-12-24)13-16-6-4-3-5-7-16/h2-7,14-15,17H,1,8-13H2,(H,21,25)
InChIKeyUMNYHPPJLKJCCO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.85
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide

2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 109247732) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID109247732
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C20H24N4O/c1-2-10-21-19(25)18-14-22-20(23-15-18)24-11-8-17(9-12-24)13-16-6-4-3-5-7-16/h2-7,14-15,17H,1,8-13H2,(H,21,25)
InChIKeyUMNYHPPJLKJCCO-UHFFFAOYSA-N
XLogP2.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.85
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

2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109264116
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247702
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
4-benzyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 19654179
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide (CID 109247732) is 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is UMNYHPPJLKJCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-10-21-19(25)18-14-22-20(23-15-18)24-11-8-17(9-12-24)13-16-6-4-3-5-7-16/h2-7,14-15,17H,1,8-13H2,(H,21,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).