[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

C17H25N3O — CID 109226257

IUPAC[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCN(c2cncc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C17H25N3O/c1-14-5-9-19(10-6-14)16-11-15(12-18-13-16)17(21)20-7-3-2-4-8-20/h11-14H,2-10H2,1H3
InChIKeyANMNVSQMTMBDQH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds2

About [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109226257) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109226257
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCN(c2cncc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C17H25N3O/c1-14-5-9-19(10-6-14)16-11-15(12-18-13-16)17(21)20-7-3-2-4-8-20/h11-14H,2-10H2,1H3
InChIKeyANMNVSQMTMBDQH-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Dipyridodiazepinone deriv. 30
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(1R,4R)-2-(5-aminocarbonyl-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane
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(2,4-Dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
CID 10413034
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
Piperazine, 1-(4-acetylphenyl)-4-(3-pyridinylcarbonyl)-
CID 667603
Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-
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N,N-Dipropylnicotinamide
CID 139084

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 109226257) is [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is CC1CCN(c2cncc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is ANMNVSQMTMBDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-5-9-19(10-6-14)16-11-15(12-18-13-16)17(21)20-7-3-2-4-8-20/h11-14H,2-10H2,1H3.
What are the key properties of [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109226257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).