[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone

C16H25N3O — CID 109182598

IUPAC[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)CCNc1ccc(C(=O)N2CCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-13(2)8-9-17-14-6-7-15(18-12-14)16(20)19-10-4-3-5-11-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyUWMXBKSBYCIHLF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds5

About [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone

[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109182598) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109182598
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)CCNc1ccc(C(=O)N2CCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-13(2)8-9-17-14-6-7-15(18-12-14)16(20)19-10-4-3-5-11-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyUWMXBKSBYCIHLF-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109182598) is [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone is CC(C)CCNc1ccc(C(=O)N2CCCCC2)nc1.
What is the InChIKey of [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is UWMXBKSBYCIHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)8-9-17-14-6-7-15(18-12-14)16(20)19-10-4-3-5-11-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3.
What are the key properties of [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 275.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109182598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).