(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone

C15H19N3O — CID 62057750

IUPAC(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c1-10-4-6-18(7-5-10)15(19)14-9-11-8-12(16)2-3-13(11)17-14/h2-3,8-10,17H,4-7,16H2,1H3
InChIKeyDHKSLAMXECZVNQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds1

About (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone

(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 62057750) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID62057750
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O/c1-10-4-6-18(7-5-10)15(19)14-9-11-8-12(16)2-3-13(11)17-14/h2-3,8-10,17H,4-7,16H2,1H3
InChIKeyDHKSLAMXECZVNQ-UHFFFAOYSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 63118334
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 63118310
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
4-(5-amino-1H-indole-2-carbonyl)morpholine-2-carbonitrile
CID 79674248
(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 10549335
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 62057750) is (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1.
What is the InChIKey of (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DHKSLAMXECZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-4-6-18(7-5-10)15(19)14-9-11-8-12(16)2-3-13(11)17-14/h2-3,8-10,17H,4-7,16H2,1H3.
What are the key properties of (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone?
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62057750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).