(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide

C14H23N5O2 — CID 95707492

IUPAC(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)[C@H]1CNCCO1
InChIInChI=1S/C14H23N5O2/c20-14(12-8-15-6-7-21-12)16-9-13-18-17-10-19(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2,(H,16,20)/t12-/m1/s1
InChIKeyYFEDDNWKMORMAA-GFCCVEGCSA-N
MW293.37 g/mol
LogP0.39
Rot. Bonds4

About (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide

(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide (PubChem CID 95707492) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
PubChem CID95707492
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)[C@H]1CNCCO1
InChIInChI=1S/C14H23N5O2/c20-14(12-8-15-6-7-21-12)16-9-13-18-17-10-19(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2,(H,16,20)/t12-/m1/s1
InChIKeyYFEDDNWKMORMAA-GFCCVEGCSA-N
XLogP0.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154913583
1-(cyclohexanecarbonyl)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 46990845
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679
(3S)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97155470
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
N-(1-cyclohexylpiperidin-4-yl)morpholine-2-carboxamide
CID 119895208
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-2-carboxamide
CID 112701632
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide (CID 95707492) is (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide is O=C(NCc1nncn1C1CCCCC1)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The InChIKey is YFEDDNWKMORMAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O2/c20-14(12-8-15-6-7-21-12)16-9-13-18-17-10-19(13)11-4-2-1-3-5-11/h10-12,15H,1-9H2,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).