(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone

C18H25N3O2 — CID 119032862

IUPAC(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
SMILESCC1CCN(C(=O)C2CCCCN2C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H25N3O2/c1-14-7-11-20(12-8-14)18(23)16-6-2-3-10-21(16)17(22)15-5-4-9-19-13-15/h4-5,9,13-14,16H,2-3,6-8,10-12H2,1H3
InChIKeyGUJDRUGYSWZIAN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.33
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone

(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone (PubChem CID 119032862) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
PubChem CID119032862
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
SMILESCC1CCN(C(=O)C2CCCCN2C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H25N3O2/c1-14-7-11-20(12-8-14)18(23)16-6-2-3-10-21(16)17(22)15-5-4-9-19-13-15/h4-5,9,13-14,16H,2-3,6-8,10-12H2,1H3
InChIKeyGUJDRUGYSWZIAN-UHFFFAOYSA-N
XLogP2.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456
[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285892
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 126806798
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
[(2S)-1-(2,3-dimethylquinoxaline-6-carbonyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305814
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 167991863

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone (CID 119032862) is (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone is CC1CCN(C(=O)C2CCCCN2C(=O)c2cccnc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The InChIKey is GUJDRUGYSWZIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-7-11-20(12-8-14)18(23)16-6-2-3-10-21(16)17(22)15-5-4-9-19-13-15/h4-5,9,13-14,16H,2-3,6-8,10-12H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone is sourced from PubChem (CID 119032862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).