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

C16H23N3O — CID 110271497

IUPAC[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN1CCCC(c2ccnc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C16H23N3O/c1-18-8-4-5-14(12-18)13-6-7-17-15(11-13)16(20)19-9-2-3-10-19/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyMUKRORNPQQABBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds2

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

[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 110271497) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID110271497
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN1CCCC(c2ccnc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C16H23N3O/c1-18-8-4-5-14(12-18)13-6-7-17-15(11-13)16(20)19-9-2-3-10-19/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyMUKRORNPQQABBI-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide
CID 95847018
(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride
CID 154910494
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
CID 95841320
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 110271497) is [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is CN1CCCC(c2ccnc(C(=O)N3CCCC3)c2)C1.
What is the InChIKey of [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MUKRORNPQQABBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-8-4-5-14(12-18)13-6-7-17-15(11-13)16(20)19-9-2-3-10-19/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110271497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).