(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone

C18H27N3O — CID 109175718

IUPAC(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccnc(N3CCCC(C)C3)c2)C1
InChIInChI=1S/C18H27N3O/c1-14-5-3-9-20(12-14)17-11-16(7-8-19-17)18(22)21-10-4-6-15(2)13-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3
InChIKeyNTSOWTLWLBQBER-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.19
Rot. Bonds2

About (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone (PubChem CID 109175718) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
PubChem CID109175718
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccnc(N3CCCC(C)C3)c2)C1
InChIInChI=1S/C18H27N3O/c1-14-5-3-9-20(12-14)17-11-16(7-8-19-17)18(22)21-10-4-6-15(2)13-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3
InChIKeyNTSOWTLWLBQBER-UHFFFAOYSA-N
XLogP3.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 136544144
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
2-[1-[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110150364
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone (CID 109175718) is (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone is CC1CCCN(C(=O)c2ccnc(N3CCCC(C)C3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone?
The InChIKey is NTSOWTLWLBQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-5-3-9-20(12-14)17-11-16(7-8-19-17)18(22)21-10-4-6-15(2)13-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone has a molecular weight of 301.43 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 109175718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).