1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide

C17H28N4O2 — CID 125012481

IUPAC1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(CCCc2cnccn2)CCN(CCO)CC1
InChIInChI=1S/C17H28N4O2/c1-20(2)16(23)17(6-10-21(11-7-17)12-13-22)5-3-4-15-14-18-8-9-19-15/h8-9,14,22H,3-7,10-13H2,1-2H3
InChIKeyVXVAFBHNVCNGII-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.96
Rot. Bonds7

About 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide

1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 125012481) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
PubChem CID125012481
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(CCCc2cnccn2)CCN(CCO)CC1
InChIInChI=1S/C17H28N4O2/c1-20(2)16(23)17(6-10-21(11-7-17)12-13-22)5-3-4-15-14-18-8-9-19-15/h8-9,14,22H,3-7,10-13H2,1-2H3
InChIKeyVXVAFBHNVCNGII-UHFFFAOYSA-N
XLogP0.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide (CID 125012481) is 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide is CN(C)C(=O)C1(CCCc2cnccn2)CCN(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is VXVAFBHNVCNGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(2)16(23)17(6-10-21(11-7-17)12-13-22)5-3-4-15-14-18-8-9-19-15/h8-9,14,22H,3-7,10-13H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide?
1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N,N-dimethyl-4-(3-pyrazin-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 125012481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).