methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate

C15H21N3O3 — CID 115538469

IUPACmethyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccnc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C15H21N3O3/c1-17(2)14(19)13-9-12(6-7-16-13)18-8-4-5-11(10-18)15(20)21-3/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyCNPZKUOTWQEEDQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.17
Rot. Bonds3

About methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate

methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate (PubChem CID 115538469) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
PubChem CID115538469
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Namemethyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ccnc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C15H21N3O3/c1-17(2)14(19)13-9-12(6-7-16-13)18-8-4-5-11(10-18)15(20)21-3/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyCNPZKUOTWQEEDQ-UHFFFAOYSA-N
XLogP1.17
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate (CID 115538469) is methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate is COC(=O)C1CCCN(c2ccnc(C(=O)N(C)C)c2)C1.
What is the InChIKey of methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate?
The InChIKey is CNPZKUOTWQEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)14(19)13-9-12(6-7-16-13)18-8-4-5-11(10-18)15(20)21-3/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate?
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate is sourced from PubChem (CID 115538469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).