[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone

C17H28N6O2 — CID 167832175

IUPAC[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone
SMILESCN(C)[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H]1n1ccnn1
InChIInChI=1S/C17H28N6O2/c1-20(2)14-12-21(13-15(14)23-7-6-18-19-23)16(24)17(4-3-5-17)22-8-10-25-11-9-22/h6-7,14-15H,3-5,8-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyBVBZDBGHPHTKSJ-CABCVRRESA-N
MW348.45 g/mol
LogP-0.15
Rot. Bonds4

About [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone

[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone (PubChem CID 167832175) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone
PubChem CID167832175
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone
SMILESCN(C)[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H]1n1ccnn1
InChIInChI=1S/C17H28N6O2/c1-20(2)14-12-21(13-15(14)23-7-6-18-19-23)16(24)17(4-3-5-17)22-8-10-25-11-9-22/h6-7,14-15H,3-5,8-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyBVBZDBGHPHTKSJ-CABCVRRESA-N
XLogP-0.15
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dihydro-1H-isochromen-6-yl-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 154783959
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 154793793
5-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidine-1-carbonyl]-1-methylpyrrole-2-carbonitrile
CID 167876894
1-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)ethanone
CID 167818335
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 167758506
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 154762023
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 154762028
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 167789108
(1-morpholin-4-ylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 131925385
2,2-dimethyl-1-(1-morpholin-4-ylcyclopentyl)propan-1-one
CID 79057514
(3R,4S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine
CID 154761741
(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120942755

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone?
The IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone (CID 167832175) is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone.
What is the SMILES notation for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone?
The canonical SMILES for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone is CN(C)[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H]1n1ccnn1.
What is the InChIKey of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone?
The InChIKey is BVBZDBGHPHTKSJ-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N6O2/c1-20(2)14-12-21(13-15(14)23-7-6-18-19-23)16(24)17(4-3-5-17)22-8-10-25-11-9-22/h6-7,14-15H,3-5,8-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone?
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone has a molecular weight of 348.45 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone is sourced from PubChem (CID 167832175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).