[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone

C22H29N3O2 — CID 155494284

IUPAC[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)cc1C1CC1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)20-14-25(13-19(27-20)16-8-6-5-7-9-16)21(26)17-12-18(15-10-11-15)24(4)23-17/h5-9,12,15,19-20H,10-11,13-14H2,1-4H3/t19-,20+/m0/s1
InChIKeyNFPROFJUPGXOCN-VQTJNVASSA-N
MW367.49 g/mol
LogP3.93
Rot. Bonds3

About [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone (PubChem CID 155494284) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
PubChem CID155494284
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
SMILESCn1nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)cc1C1CC1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)20-14-25(13-19(27-20)16-8-6-5-7-9-16)21(26)17-12-18(15-10-11-15)24(4)23-17/h5-9,12,15,19-20H,10-11,13-14H2,1-4H3/t19-,20+/m0/s1
InChIKeyNFPROFJUPGXOCN-VQTJNVASSA-N
XLogP3.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone
CID 134696016
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 134695527
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011586
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
(3R,5S)-1-(5-cyclopropyl-1-methylpyrazole-3-carbonyl)-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 154767039

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone (CID 155494284) is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone is Cn1nc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)cc1C1CC1.
What is the InChIKey of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
The InChIKey is NFPROFJUPGXOCN-VQTJNVASSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)20-14-25(13-19(27-20)16-8-6-5-7-9-16)21(26)17-12-18(15-10-11-15)24(4)23-17/h5-9,12,15,19-20H,10-11,13-14H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone?
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone has a molecular weight of 367.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 155494284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).