N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide

C13H23N5O2 — CID 173466314

IUPACN-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide
SMILESN#CCCNC(=O)CC1NCCN[C@H]1N1CCOCC1
InChIInChI=1S/C13H23N5O2/c14-2-1-3-16-12(19)10-11-13(17-5-4-15-11)18-6-8-20-9-7-18/h11,13,15,17H,1,3-10H2,(H,16,19)/t11?,13-/m0/s1
InChIKeyFXKUDUQZVKCFGO-YUZLPWPTSA-N
MW281.36 g/mol
LogP-1.37
Rot. Bonds5

About N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide

N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide (PubChem CID 173466314) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide
PubChem CID173466314
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide
SMILESN#CCCNC(=O)CC1NCCN[C@H]1N1CCOCC1
InChIInChI=1S/C13H23N5O2/c14-2-1-3-16-12(19)10-11-13(17-5-4-15-11)18-6-8-20-9-7-18/h11,13,15,17H,1,3-10H2,(H,16,19)/t11?,13-/m0/s1
InChIKeyFXKUDUQZVKCFGO-YUZLPWPTSA-N
XLogP-1.37
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide (CID 173466314) is N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide is N#CCCNC(=O)CC1NCCN[C@H]1N1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide?
The InChIKey is FXKUDUQZVKCFGO-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H23N5O2/c14-2-1-3-16-12(19)10-11-13(17-5-4-15-11)18-6-8-20-9-7-18/h11,13,15,17H,1,3-10H2,(H,16,19)/t11?,13-/m0/s1.
What are the key properties of N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide?
N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide has a molecular weight of 281.36 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(3S)-3-morpholin-4-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 173466314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).