N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide

C14H23N5O3 — CID 138025218

IUPACN-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
SMILESCn1nncc1NC(=O)N1CCOCC1CC1CCOCC1
InChIInChI=1S/C14H23N5O3/c1-18-13(9-15-17-18)16-14(20)19-4-7-22-10-12(19)8-11-2-5-21-6-3-11/h9,11-12H,2-8,10H2,1H3,(H,16,20)
InChIKeyDNLJSXFJRSAVPC-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.86
Rot. Bonds3

About N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide

N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide (PubChem CID 138025218) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
PubChem CID138025218
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
SMILESCn1nncc1NC(=O)N1CCOCC1CC1CCOCC1
InChIInChI=1S/C14H23N5O3/c1-18-13(9-15-17-18)16-14(20)19-4-7-22-10-12(19)8-11-2-5-21-6-3-11/h9,11-12H,2-8,10H2,1H3,(H,16,20)
InChIKeyDNLJSXFJRSAVPC-UHFFFAOYSA-N
XLogP0.86
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethyl)-N-pyrazolo[1,5-a]pyridin-7-ylmorpholine-4-carboxamide
CID 154784953
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide
CID 138007003
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
ethyl 3-oxo-3-[3-(oxolan-3-ylmethyl)morpholin-4-yl]propanoate
CID 165488230
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164634429
[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone
CID 136566417
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 114685879
1-[4-[3-(oxan-4-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyridin-2-one
CID 136567969
N-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethylmorpholine-4-carboxamide
CID 126839142
N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
CID 136566388

Frequently Asked Questions

What is the IUPAC name of N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide (CID 138025218) is N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide is Cn1nncc1NC(=O)N1CCOCC1CC1CCOCC1.
What is the InChIKey of N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide?
The InChIKey is DNLJSXFJRSAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-18-13(9-15-17-18)16-14(20)19-4-7-22-10-12(19)8-11-2-5-21-6-3-11/h9,11-12H,2-8,10H2,1H3,(H,16,20).
What are the key properties of N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide?
N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyltriazol-4-yl)-3-(oxan-4-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 138025218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).