2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide

C18H28N4O3 — CID 141050479

IUPAC2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide
SMILESN#C[C@@H]1CCCN1CC(=O)NC1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O3/c19-12-16-2-1-7-22(16)13-17(23)20-15-5-3-14(4-6-15)18(24)21-8-10-25-11-9-21/h14-16H,1-11,13H2,(H,20,23)/t14?,15?,16-/m0/s1
InChIKeyLNOOAYLFVZOSKD-GPANFISMSA-N
MW348.45 g/mol
LogP0.51
Rot. Bonds4

About 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide

2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide (PubChem CID 141050479) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide
PubChem CID141050479
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide
SMILESN#C[C@@H]1CCCN1CC(=O)NC1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H28N4O3/c19-12-16-2-1-7-22(16)13-17(23)20-15-5-3-14(4-6-15)18(24)21-8-10-25-11-9-21/h14-16H,1-11,13H2,(H,20,23)/t14?,15?,16-/m0/s1
InChIKeyLNOOAYLFVZOSKD-GPANFISMSA-N
XLogP0.51
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 47075935
4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]acetyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
CID 141440293
2-[(2S)-2-cyanopyrrolidin-1-yl]acetyl bromide
CID 141050137
N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 165434073
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)cyclohexyl]acetamide
CID 141050136
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63849559
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
4-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexanecarbonyl]piperazine-1-carboxamide
CID 10362981

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide?
The IUPAC name of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide (CID 141050479) is 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide is N#C[C@@H]1CCCN1CC(=O)NC1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide?
The InChIKey is LNOOAYLFVZOSKD-GPANFISMSA-N. The full InChI is InChI=1S/C18H28N4O3/c19-12-16-2-1-7-22(16)13-17(23)20-15-5-3-14(4-6-15)18(24)21-8-10-25-11-9-21/h14-16H,1-11,13H2,(H,20,23)/t14?,15?,16-/m0/s1.
What are the key properties of 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide?
2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyanopyrrolidin-1-yl]-N-[4-(morpholine-4-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 141050479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).