N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide

C14H26N4O2 — CID 56802556

IUPACN-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NCCC#N)CC1CCN(CCO)CC1
InChIInChI=1S/C14H26N4O2/c1-17(12-14(20)16-6-2-5-15)11-13-3-7-18(8-4-13)9-10-19/h13,19H,2-4,6-12H2,1H3,(H,16,20)
InChIKeyBCRFPRVXZVWIOS-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.35
Rot. Bonds8

About N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide

N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide (PubChem CID 56802556) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide
PubChem CID56802556
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide
SMILESCN(CC(=O)NCCC#N)CC1CCN(CCO)CC1
InChIInChI=1S/C14H26N4O2/c1-17(12-14(20)16-6-2-5-15)11-13-3-7-18(8-4-13)9-10-19/h13,19H,2-4,6-12H2,1H3,(H,16,20)
InChIKeyBCRFPRVXZVWIOS-UHFFFAOYSA-N
XLogP-0.35
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide (CID 56802556) is N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide is CN(CC(=O)NCCC#N)CC1CCN(CCO)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide?
The InChIKey is BCRFPRVXZVWIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-17(12-14(20)16-6-2-5-15)11-13-3-7-18(8-4-13)9-10-19/h13,19H,2-4,6-12H2,1H3,(H,16,20).
What are the key properties of N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide?
N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide has a molecular weight of 282.39 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 56802556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).