N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide

C17H30N4O2 — CID 95336625

IUPACN-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)NC2(C#N)CCCC2)CCN1CCOC
InChIInChI=1S/C17H30N4O2/c1-3-15-12-20(8-9-21(15)10-11-23-2)13-16(22)19-17(14-18)6-4-5-7-17/h15H,3-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyMROAKKQMXNDLGK-HNNXBMFYSA-N
MW322.45 g/mol
LogP0.98
Rot. Bonds7

About N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide (PubChem CID 95336625) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
PubChem CID95336625
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)NC2(C#N)CCCC2)CCN1CCOC
InChIInChI=1S/C17H30N4O2/c1-3-15-12-20(8-9-21(15)10-11-23-2)13-16(22)19-17(14-18)6-4-5-7-17/h15H,3-13H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyMROAKKQMXNDLGK-HNNXBMFYSA-N
XLogP0.98
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide (CID 95336625) is N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide is CC[C@H]1CN(CC(=O)NC2(C#N)CCCC2)CCN1CCOC.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is MROAKKQMXNDLGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-3-15-12-20(8-9-21(15)10-11-23-2)13-16(22)19-17(14-18)6-4-5-7-17/h15H,3-13H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 95336625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).