N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide

C24H33N3O4 — CID 70848277

IUPACN-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3cc(NC(=O)C4CCOCC4)ccc3[nH]2)CC1
InChIInChI=1S/C24H33N3O4/c1-24(2,30)15-16-5-9-27(10-6-16)23(29)21-14-18-13-19(3-4-20(18)26-21)25-22(28)17-7-11-31-12-8-17/h3-4,13-14,16-17,26,30H,5-12,15H2,1-2H3,(H,25,28)
InChIKeyNZCUUXDKWUMQHE-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.55
Rot. Bonds5

About N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide

N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide (PubChem CID 70848277) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide
PubChem CID70848277
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3cc(NC(=O)C4CCOCC4)ccc3[nH]2)CC1
InChIInChI=1S/C24H33N3O4/c1-24(2,30)15-16-5-9-27(10-6-16)23(29)21-14-18-13-19(3-4-20(18)26-21)25-22(28)17-7-11-31-12-8-17/h3-4,13-14,16-17,26,30H,5-12,15H2,1-2H3,(H,25,28)
InChIKeyNZCUUXDKWUMQHE-UHFFFAOYSA-N
XLogP3.55
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide
CID 166405184
[4-(oxan-4-ylmethyl)piperidin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 123649106
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709
(4,6-dimethoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848115
N-[2-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 70018590
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide (CID 70848277) is N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide is CC(C)(O)CC1CCN(C(=O)c2cc3cc(NC(=O)C4CCOCC4)ccc3[nH]2)CC1.
What is the InChIKey of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide?
The InChIKey is NZCUUXDKWUMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2,30)15-16-5-9-27(10-6-16)23(29)21-14-18-13-19(3-4-20(18)26-21)25-22(28)17-7-11-31-12-8-17/h3-4,13-14,16-17,26,30H,5-12,15H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide?
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide is sourced from PubChem (CID 70848277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).