(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile

C18H27N5O2 — CID 148615259

IUPAC(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile
SMILESC[C@H](C#N)n1cc([C@@H](CC(=O)N2CCOCC2)C2CCCCC2)nn1
InChIInChI=1S/C18H27N5O2/c1-14(12-19)23-13-17(20-21-23)16(15-5-3-2-4-6-15)11-18(24)22-7-9-25-10-8-22/h13-16H,2-11H2,1H3/t14-,16+/m1/s1
InChIKeyNFEFVSAYYUVBSF-ZBFHGGJFSA-N
MW345.45 g/mol
LogP2.28
Rot. Bonds5

About (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile

(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile (PubChem CID 148615259) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile
PubChem CID148615259
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile
SMILESC[C@H](C#N)n1cc([C@@H](CC(=O)N2CCOCC2)C2CCCCC2)nn1
InChIInChI=1S/C18H27N5O2/c1-14(12-19)23-13-17(20-21-23)16(15-5-3-2-4-6-15)11-18(24)22-7-9-25-10-8-22/h13-16H,2-11H2,1H3/t14-,16+/m1/s1
InChIKeyNFEFVSAYYUVBSF-ZBFHGGJFSA-N
XLogP2.28
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile with MolForge

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Related Compounds

2-methyl-4-morpholin-4-yl-4-oxobutanenitrile
CID 82111559
(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one
CID 158274360
2-[(1R)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496655
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
N-[(1R,2S)-2-cyano-1-cyclohexyl-2-(4-methylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 139942488
N-[(1R,2R)-2-cyano-1-cyclohexyl-2-(4-methylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 139942496
3-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 83285067
(2S)-2-cyclohexyl-4-methyl-1-morpholin-4-ylpentan-1-one
CID 159145676
4-[(3S)-3-[1-(1-cyanocyclopropyl)triazol-4-yl]-3-cyclohexylpropanoyl]-N-methylbenzamide
CID 158070578
N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
CID 79155147
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile?
The IUPAC name of (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile (CID 148615259) is (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile.
What is the SMILES notation for (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile?
The canonical SMILES for (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile is C[C@H](C#N)n1cc([C@@H](CC(=O)N2CCOCC2)C2CCCCC2)nn1.
What is the InChIKey of (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile?
The InChIKey is NFEFVSAYYUVBSF-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(12-19)23-13-17(20-21-23)16(15-5-3-2-4-6-15)11-18(24)22-7-9-25-10-8-22/h13-16H,2-11H2,1H3/t14-,16+/m1/s1.
What are the key properties of (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile?
(2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile has a molecular weight of 345.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(1S)-1-cyclohexyl-3-morpholin-4-yl-3-oxopropyl]triazol-1-yl]propanenitrile is sourced from PubChem (CID 148615259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).