(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide

C17H23N5O2 — CID 97336914

IUPAC(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H23N5O2/c1-14(10-22-13-18-12-19-22)20-17(23)21-7-8-24-16(11-21)9-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyXLJPKFVAFQVXGB-HOCLYGCPSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds5

About (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide

(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 97336914) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID97336914
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H23N5O2/c1-14(10-22-13-18-12-19-22)20-17(23)21-7-8-24-16(11-21)9-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,20,23)/t14-,16-/m0/s1
InChIKeyXLJPKFVAFQVXGB-HOCLYGCPSA-N
XLogP1.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
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1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide (CID 97336914) is (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide is C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is XLJPKFVAFQVXGB-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-14(10-22-13-18-12-19-22)20-17(23)21-7-8-24-16(11-21)9-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,20,23)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
(2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97336914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).