(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

C18H25N3O2 — CID 59529905

IUPAC(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1
InChIInChI=1S/C18H25N3O2/c1-18(2,23)11-12-5-7-21(8-6-12)17(22)16-10-13-9-14(19)3-4-15(13)20-16/h3-4,9-10,12,20,23H,5-8,11,19H2,1-2H3
InChIKeyRMHMXEQWAXKSDL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.76
Rot. Bonds3

About (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 59529905) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
PubChem CID59529905
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1
InChIInChI=1S/C18H25N3O2/c1-18(2,23)11-12-5-7-21(8-6-12)17(22)16-10-13-9-14(19)3-4-15(13)20-16/h3-4,9-10,12,20,23H,5-8,11,19H2,1-2H3
InChIKeyRMHMXEQWAXKSDL-UHFFFAOYSA-N
XLogP2.76
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386
N-[2-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-1H-indol-5-yl]oxane-4-carboxamide
CID 70848277
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanone
CID 46909814
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
(4,6-dimethoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848115
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 63118310
(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 10549335

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (CID 59529905) is (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is CC(C)(O)CC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1.
What is the InChIKey of (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is RMHMXEQWAXKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,23)11-12-5-7-21(8-6-12)17(22)16-10-13-9-14(19)3-4-15(13)20-16/h3-4,9-10,12,20,23H,5-8,11,19H2,1-2H3.
What are the key properties of (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 59529905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).