1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide

C19H26N4O4S — CID 138679948

IUPAC1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(N3CCCC(NS(C)(=O)=O)C3)nccc2cc1C(N)=O
InChIInChI=1S/C19H26N4O4S/c1-12(2)27-17-10-15-13(9-16(17)18(20)24)6-7-21-19(15)23-8-4-5-14(11-23)22-28(3,25)26/h6-7,9-10,12,14,22H,4-5,8,11H2,1-3H3,(H2,20,24)
InChIKeyQVBYWQGOJYERDE-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.64
Rot. Bonds6

About 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide

1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 138679948) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID138679948
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCC(C)Oc1cc2c(N3CCCC(NS(C)(=O)=O)C3)nccc2cc1C(N)=O
InChIInChI=1S/C19H26N4O4S/c1-12(2)27-17-10-15-13(9-16(17)18(20)24)6-7-21-19(15)23-8-4-5-14(11-23)22-28(3,25)26/h6-7,9-10,12,14,22H,4-5,8,11H2,1-3H3,(H2,20,24)
InChIKeyQVBYWQGOJYERDE-UHFFFAOYSA-N
XLogP1.64
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide with MolForge

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Related Compounds

1-(3-acetamidopyrrolidin-1-yl)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 138679816
1-[(3aR,6aS)-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl]-7-propan-2-yloxyisoquinoline-6-carbothioamide
CID 138679914
1-[2-oxo-6-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 151597323
1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 126639424
7-(dicyclopropylmethoxy)-1-(2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl)isoquinoline-6-carboxamide
CID 138679951
butyl 3-(6-carbamoyl-7-propan-2-yloxyisoquinolin-1-yl)oxypiperidine-1-carboxylate
CID 126573738
1-[[(3S)-oxolan-3-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 125495422
1-(oxolan-2-ylmethoxy)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972445
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
1-[[(2S,4R)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414884
1-[[(2S,4S)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414742
1-(2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-d][1,3]oxazol-5-yl)-7-(1,1,2,2,2-pentadeuterioethoxy)isoquinoline-6-carboxamide
CID 138680232

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 138679948) is 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide is CC(C)Oc1cc2c(N3CCCC(NS(C)(=O)=O)C3)nccc2cc1C(N)=O.
What is the InChIKey of 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is QVBYWQGOJYERDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-12(2)27-17-10-15-13(9-16(17)18(20)24)6-7-21-19(15)23-8-4-5-14(11-23)22-28(3,25)26/h6-7,9-10,12,14,22H,4-5,8,11H2,1-3H3,(H2,20,24).
What are the key properties of 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)piperidin-1-yl]-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 138679948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).