(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate

C16H29N3O2 — CID 61285740

IUPAC(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
SMILESCN1CCC(OC(=O)C2CCCN2C2CCNCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-18-11-6-14(7-12-18)21-16(20)15-3-2-10-19(15)13-4-8-17-9-5-13/h13-15,17H,2-12H2,1H3
InChIKeyWQYIGNXQYRVWOG-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.84
Rot. Bonds3

About (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate

(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate (PubChem CID 61285740) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
PubChem CID61285740
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate
SMILESCN1CCC(OC(=O)C2CCCN2C2CCNCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-18-11-6-14(7-12-18)21-16(20)15-3-2-10-19(15)13-4-8-17-9-5-13/h13-15,17H,2-12H2,1H3
InChIKeyWQYIGNXQYRVWOG-UHFFFAOYSA-N
XLogP0.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate (CID 61285740) is (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate is CN1CCC(OC(=O)C2CCCN2C2CCNCC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate?
The InChIKey is WQYIGNXQYRVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-18-11-6-14(7-12-18)21-16(20)15-3-2-10-19(15)13-4-8-17-9-5-13/h13-15,17H,2-12H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate?
(1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate has a molecular weight of 295.43 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1-piperidin-4-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 61285740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).