N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C20H33N5O2 — CID 39998511

IUPACN-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C20H33N5O2/c1-17-6-2-5-9-25(17)19(27)15-24-12-10-23(11-13-24)14-18(26)22-20(16-21)7-3-4-8-20/h17H,2-15H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyNEXIECAQLMYURR-QGZVFWFLSA-N
MW375.52 g/mol
LogP0.96
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 39998511) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID39998511
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C20H33N5O2/c1-17-6-2-5-9-25(17)19(27)15-24-12-10-23(11-13-24)14-18(26)22-20(16-21)7-3-4-8-20/h17H,2-15H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyNEXIECAQLMYURR-QGZVFWFLSA-N
XLogP0.96
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 128926598
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 48736687
N-(1-cyanocyclopentyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899292
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 39998511) is N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is NEXIECAQLMYURR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-17-6-2-5-9-25(17)19(27)15-24-12-10-23(11-13-24)14-18(26)22-20(16-21)7-3-4-8-20/h17H,2-15H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 39998511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).