[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone

C16H25N3O — CID 109204430

IUPAC[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)CCNc1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(2)6-8-17-14-7-9-18-15(12-14)16(20)19-10-4-3-5-11-19/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,18)
InChIKeySUKKREOTQUJMTM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds5

About [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone

[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204430) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204430
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)CCNc1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(2)6-8-17-14-7-9-18-15(12-14)16(20)19-10-4-3-5-11-19/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,18)
InChIKeySUKKREOTQUJMTM-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

[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598
2-hydroxy-N-methyl-3-[[2-(piperidine-1-carbonyl)-4-pyridinyl]amino]propanamide
CID 146106337
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
CID 109216956
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204430) is [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone is CC(C)CCNc1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is SUKKREOTQUJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)6-8-17-14-7-9-18-15(12-14)16(20)19-10-4-3-5-11-19/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,18).
What are the key properties of [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
[4-(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 [4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).