2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C18H25N3O2 — CID 51082370

IUPAC2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C18H25N3O2/c1-14-4-5-16(13-19-14)18(23)21-10-6-15(7-11-21)12-17(22)20-8-2-3-9-20/h4-5,13,15H,2-3,6-12H2,1H3
InChIKeyHSSUHMWACCPBRM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 51082370) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID51082370
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C18H25N3O2/c1-14-4-5-16(13-19-14)18(23)21-10-6-15(7-11-21)12-17(22)20-8-2-3-9-20/h4-5,13,15H,2-3,6-12H2,1H3
InChIKeyHSSUHMWACCPBRM-UHFFFAOYSA-N
XLogP2.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 82701353
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 51082370) is 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1.
What is the InChIKey of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is HSSUHMWACCPBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-4-5-16(13-19-14)18(23)21-10-6-15(7-11-21)12-17(22)20-8-2-3-9-20/h4-5,13,15H,2-3,6-12H2,1H3.
What are the key properties of 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 315.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 51082370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).