(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone

C18H34N4O2 — CID 110259193

IUPAC(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCN1CCN(CC2(O)CCN(C(=O)C3(C)CCCCN3C)C2)CC1
InChIInChI=1S/C18H34N4O2/c1-17(6-4-5-8-20(17)3)16(23)22-9-7-18(24,15-22)14-21-12-10-19(2)11-13-21/h24H,4-15H2,1-3H3
InChIKeyHOMKOLMDEUFOBL-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.07
Rot. Bonds3

About (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone

(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110259193) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110259193
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCN1CCN(CC2(O)CCN(C(=O)C3(C)CCCCN3C)C2)CC1
InChIInChI=1S/C18H34N4O2/c1-17(6-4-5-8-20(17)3)16(23)22-9-7-18(24,15-22)14-21-12-10-19(2)11-13-21/h24H,4-15H2,1-3H3
InChIKeyHOMKOLMDEUFOBL-UHFFFAOYSA-N
XLogP0.07
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 110259193) is (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone is CN1CCN(CC2(O)CCN(C(=O)C3(C)CCCCN3C)C2)CC1.
What is the InChIKey of (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is HOMKOLMDEUFOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-17(6-4-5-8-20(17)3)16(23)22-9-7-18(24,15-22)14-21-12-10-19(2)11-13-21/h24H,4-15H2,1-3H3.
What are the key properties of (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone?
(1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 338.50 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpiperidin-2-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110259193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).