2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide

C22H29N3O — CID 23339034

IUPAC2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide
SMILESCc1cccc(CC(=O)N(c2ccccn2)C2CCN(C(C)C)CC2)c1
InChIInChI=1S/C22H29N3O/c1-17(2)24-13-10-20(11-14-24)25(21-9-4-5-12-23-21)22(26)16-19-8-6-7-18(3)15-19/h4-9,12,15,17,20H,10-11,13-14,16H2,1-3H3
InChIKeyJKBOGDGKUXGXEK-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.84
Rot. Bonds5

About 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide

2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide (PubChem CID 23339034) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide
PubChem CID23339034
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide
SMILESCc1cccc(CC(=O)N(c2ccccn2)C2CCN(C(C)C)CC2)c1
InChIInChI=1S/C22H29N3O/c1-17(2)24-13-10-20(11-14-24)25(21-9-4-5-12-23-21)22(26)16-19-8-6-7-18(3)15-19/h4-9,12,15,17,20H,10-11,13-14,16H2,1-3H3
InChIKeyJKBOGDGKUXGXEK-UHFFFAOYSA-N
XLogP3.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Src-820 R
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13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725
2-Ethyl-9-methyl-13-(3-phenylpropyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470726

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide (CID 23339034) is 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide is Cc1cccc(CC(=O)N(c2ccccn2)C2CCN(C(C)C)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide?
The InChIKey is JKBOGDGKUXGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)24-13-10-20(11-14-24)25(21-9-4-5-12-23-21)22(26)16-19-8-6-7-18(3)15-19/h4-9,12,15,17,20H,10-11,13-14,16H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide?
2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide has a molecular weight of 351.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23339034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).