[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

C19H34N2O2 — CID 45214204

IUPAC[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)CN1CCC(C2CCN(C(=O)C3CCOCC3)C2)CC1
InChIInChI=1S/C19H34N2O2/c1-15(2)13-20-8-3-16(4-9-20)18-5-10-21(14-18)19(22)17-6-11-23-12-7-17/h15-18H,3-14H2,1-2H3
InChIKeyYFPCHGPTVBJEGU-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.63
Rot. Bonds4

About [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 45214204) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID45214204
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)CN1CCC(C2CCN(C(=O)C3CCOCC3)C2)CC1
InChIInChI=1S/C19H34N2O2/c1-15(2)13-20-8-3-16(4-9-20)18-5-10-21(14-18)19(22)17-6-11-23-12-7-17/h15-18H,3-14H2,1-2H3
InChIKeyYFPCHGPTVBJEGU-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 45214204) is [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is CC(C)CN1CCC(C2CCN(C(=O)C3CCOCC3)C2)CC1.
What is the InChIKey of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is YFPCHGPTVBJEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15(2)13-20-8-3-16(4-9-20)18-5-10-21(14-18)19(22)17-6-11-23-12-7-17/h15-18H,3-14H2,1-2H3.
What are the key properties of [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 322.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 45214204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).