1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

C17H23N5O2 — CID 155917454

IUPAC1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H23N5O2/c1-13(2)15-10-21(17(23)8-9-22-12-18-19-20-22)11-16(24-15)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyLBKNVZSLOPYRHP-CVEARBPZSA-N
MW329.40 g/mol
LogP1.69
Rot. Bonds5

About 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 155917454) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID155917454
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H23N5O2/c1-13(2)15-10-21(17(23)8-9-22-12-18-19-20-22)11-16(24-15)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyLBKNVZSLOPYRHP-CVEARBPZSA-N
XLogP1.69
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
CID 154913614
2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
CID 154914015
1-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95583708
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone
CID 155499715
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134696475
5-methyl-4-[2-oxo-2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethyl]-1,2-dihydropyrazol-3-one
CID 155911907
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
(5-methyl-1,2-oxazol-3-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134712918
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134704293
(6-amino-3-pyridinyl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134706582
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one (CID 155917454) is 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one is CC(C)[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is LBKNVZSLOPYRHP-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(2)15-10-21(17(23)8-9-22-12-18-19-20-22)11-16(24-15)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 155917454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).