[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone

C22H28N4O — CID 155873458

IUPAC[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
SMILESCc1cccnc1CN1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1
InChIInChI=1S/C22H28N4O/c1-18-7-5-12-23-20(18)17-25-15-10-22(11-16-25,21(27)26-13-6-14-26)24-19-8-3-2-4-9-19/h2-5,7-9,12,24H,6,10-11,13-17H2,1H3
InChIKeyNAUMXVXLXMRJRC-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.07
Rot. Bonds5

About [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone

[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone (PubChem CID 155873458) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
PubChem CID155873458
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
SMILESCc1cccnc1CN1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1
InChIInChI=1S/C22H28N4O/c1-18-7-5-12-23-20(18)17-25-15-10-22(11-16-25,21(27)26-13-6-14-26)24-19-8-3-2-4-9-19/h2-5,7-9,12,24H,6,10-11,13-17H2,1H3
InChIKeyNAUMXVXLXMRJRC-UHFFFAOYSA-N
XLogP3.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone with MolForge

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Related Compounds

[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155878699
[4-anilino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873936
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]oxane-4-carbonitrile
CID 118794688
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
CID 72868148
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
[3-hydroxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 154823229
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896192
(2-methyl-3-phenylcycloprop-2-en-1-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70736951
4-[2-methyl-6-(4-phenylanilino)phenyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 89062689
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142

Frequently Asked Questions

What is the IUPAC name of [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone?
The IUPAC name of [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone (CID 155873458) is [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone.
What is the SMILES notation for [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone?
The canonical SMILES for [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone is Cc1cccnc1CN1CCC(Nc2ccccc2)(C(=O)N2CCC2)CC1.
What is the InChIKey of [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone?
The InChIKey is NAUMXVXLXMRJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-7-5-12-23-20(18)17-25-15-10-22(11-16-25,21(27)26-13-6-14-26)24-19-8-3-2-4-9-19/h2-5,7-9,12,24H,6,10-11,13-17H2,1H3.
What are the key properties of [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone?
[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone is sourced from PubChem (CID 155873458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).