4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine

C23H33N5O3S — CID 162731098

IUPAC4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine
SMILESCC1(C)CN(S(=O)(=O)c2cnc[nH]2)Cc2cc(N3CCC(N4CCOCC4)CC3)ccc21
InChIInChI=1S/C23H33N5O3S/c1-23(2)16-28(32(29,30)22-14-24-17-25-22)15-18-13-20(3-4-21(18)23)26-7-5-19(6-8-26)27-9-11-31-12-10-27/h3-4,13-14,17,19H,5-12,15-16H2,1-2H3,(H,24,25)
InChIKeyTWZABMFNPAHOGL-UHFFFAOYSA-N
MW459.62 g/mol
LogP2.19
Rot. Bonds4

About 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine

4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine (PubChem CID 162731098) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine
PubChem CID162731098
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine
SMILESCC1(C)CN(S(=O)(=O)c2cnc[nH]2)Cc2cc(N3CCC(N4CCOCC4)CC3)ccc21
InChIInChI=1S/C23H33N5O3S/c1-23(2)16-28(32(29,30)22-14-24-17-25-22)15-18-13-20(3-4-21(18)23)26-7-5-19(6-8-26)27-9-11-31-12-10-27/h3-4,13-14,17,19H,5-12,15-16H2,1-2H3,(H,24,25)
InChIKeyTWZABMFNPAHOGL-UHFFFAOYSA-N
XLogP2.19
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

cyclohexyl-[5,5-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-3,4-dihydro-1H-2-benzazepin-2-yl]methanone
CID 162731128
4,4-dimethyl-7-(4-morpholin-4-ylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoquinoline-2-carboxamide
CID 162731181
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethyl-7-(4-morpholin-4-ylpiperidin-1-yl)-1,3-dihydroisoquinoline-2-carboxamide
CID 162731081
N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
CID 162731126
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidin-4-ol
CID 81103360
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413
4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472
[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
CID 142939386
1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106670954
7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoquinoline-2-carboxamide
CID 162731180
2-isocyano-4-(4-morpholin-4-ylpiperidin-1-yl)aniline
CID 21018337
4-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]morpholine
CID 171691128

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine (CID 162731098) is 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine is CC1(C)CN(S(=O)(=O)c2cnc[nH]2)Cc2cc(N3CCC(N4CCOCC4)CC3)ccc21.
What is the InChIKey of 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine?
The InChIKey is TWZABMFNPAHOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-23(2)16-28(32(29,30)22-14-24-17-25-22)15-18-13-20(3-4-21(18)23)26-7-5-19(6-8-26)27-9-11-31-12-10-27/h3-4,13-14,17,19H,5-12,15-16H2,1-2H3,(H,24,25).
What are the key properties of 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine?
4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine has a molecular weight of 459.62 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1H-imidazol-5-ylsulfonyl)-4,4-dimethyl-1,3-dihydroisoquinolin-7-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 162731098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).