(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone

C15H23N3O — CID 109223439

IUPAC(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(NC(C)C)c2)C1
InChIInChI=1S/C15H23N3O/c1-11(2)17-14-7-13(8-16-9-14)15(19)18-6-4-5-12(3)10-18/h7-9,11-12,17H,4-6,10H2,1-3H3
InChIKeyVNXUNNZTHUHPDG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.77
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone (PubChem CID 109223439) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
PubChem CID109223439
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(NC(C)C)c2)C1
InChIInChI=1S/C15H23N3O/c1-11(2)17-14-7-13(8-16-9-14)15(19)18-6-4-5-12(3)10-18/h7-9,11-12,17H,4-6,10H2,1-3H3
InChIKeyVNXUNNZTHUHPDG-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109240719
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109236512
[5-(butan-2-ylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225306
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
[5-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109234661
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone (CID 109223439) is (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone is CC1CCCN(C(=O)c2cncc(NC(C)C)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
The InChIKey is VNXUNNZTHUHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)17-14-7-13(8-16-9-14)15(19)18-6-4-5-12(3)10-18/h7-9,11-12,17H,4-6,10H2,1-3H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).