2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

C23H27N3O4 — CID 42851965

IUPAC2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C23H27N3O4/c1-14(2)24-22(27)18-6-4-15(3)25-21(18)16-8-10-26(11-9-16)23(28)17-5-7-19-20(12-17)30-13-29-19/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,24,27)
InChIKeyQUFMDIYDANXHJB-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.28
Rot. Bonds4

About 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42851965) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42851965
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C23H27N3O4/c1-14(2)24-22(27)18-6-4-15(3)25-21(18)16-8-10-26(11-9-16)23(28)17-5-7-19-20(12-17)30-13-29-19/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,24,27)
InChIKeyQUFMDIYDANXHJB-UHFFFAOYSA-N
XLogP3.28
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42192175
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198570
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46019937
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46019942

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 42851965) is 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QUFMDIYDANXHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14(2)24-22(27)18-6-4-15(3)25-21(18)16-8-10-26(11-9-16)23(28)17-5-7-19-20(12-17)30-13-29-19/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,24,27).
What are the key properties of 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42851965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).