cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone

C21H29N3O2 — CID 97113868

IUPACcyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C(=O)N2CCCC[C@@H]2c2ccccn2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(16-6-5-7-16)23-14-10-17(11-15-23)21(26)24-13-4-2-9-19(24)18-8-1-3-12-22-18/h1,3,8,12,16-17,19H,2,4-7,9-11,13-15H2/t19-/m1/s1
InChIKeyJDCAWPICGRRZPW-LJQANCHMSA-N
MW355.48 g/mol
LogP3.17
Rot. Bonds3

About cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97113868) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97113868
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Namecyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C(=O)N2CCCC[C@@H]2c2ccccn2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(16-6-5-7-16)23-14-10-17(11-15-23)21(26)24-13-4-2-9-19(24)18-8-1-3-12-22-18/h1,3,8,12,16-17,19H,2,4-7,9-11,13-15H2/t19-/m1/s1
InChIKeyJDCAWPICGRRZPW-LJQANCHMSA-N
XLogP3.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
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(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
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2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone (CID 97113868) is cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(C(=O)N2CCCC[C@@H]2c2ccccn2)CC1.
What is the InChIKey of cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is JDCAWPICGRRZPW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(16-6-5-7-16)23-14-10-17(11-15-23)21(26)24-13-4-2-9-19(24)18-8-1-3-12-22-18/h1,3,8,12,16-17,19H,2,4-7,9-11,13-15H2/t19-/m1/s1.
What are the key properties of cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97113868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).