[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone

C15H23N3O — CID 109203044

IUPAC[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)CNc1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12(2)11-17-13-6-7-16-14(10-13)15(19)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,16,17)
InChIKeyQWPNRYZVSVVTAI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds4

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

[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109203044) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109203044
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC(C)CNc1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12(2)11-17-13-6-7-16-14(10-13)15(19)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,16,17)
InChIKeyQWPNRYZVSVVTAI-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
2-hydroxy-N-methyl-3-[[2-(piperidine-1-carbonyl)-4-pyridinyl]amino]propanamide
CID 146106337
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
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
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109203044) is [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone is CC(C)CNc1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is QWPNRYZVSVVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)11-17-13-6-7-16-14(10-13)15(19)18-8-4-3-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone?
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109203044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).