(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

C16H23N3O — CID 109203878

IUPAC(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2cc(N3CCCC3)ccn2)C1
InChIInChI=1S/C16H23N3O/c1-13-5-4-10-19(12-13)16(20)15-11-14(6-7-17-15)18-8-2-3-9-18/h6-7,11,13H,2-5,8-10,12H2,1H3
InChIKeyYVSWHVNZHQDROR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.55
Rot. Bonds2

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

(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (PubChem CID 109203878) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
PubChem CID109203878
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2cc(N3CCCC3)ccn2)C1
InChIInChI=1S/C16H23N3O/c1-13-5-4-10-19(12-13)16(20)15-11-14(6-7-17-15)18-8-2-3-9-18/h6-7,11,13H,2-5,8-10,12H2,1H3
InChIKeyYVSWHVNZHQDROR-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109215155
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (CID 109203878) is (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is CC1CCCN(C(=O)c2cc(N3CCCC3)ccn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The InChIKey is YVSWHVNZHQDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-5-4-10-19(12-13)16(20)15-11-14(6-7-17-15)18-8-2-3-9-18/h6-7,11,13H,2-5,8-10,12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.55, 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)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 109203878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).