1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

C16H21N3O — CID 63250609

IUPAC1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N3O/c1-17-11-12-6-8-19(9-7-12)16(20)15-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyQNFSXMMPZMRTNG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds3

About 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone

1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63250609) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63250609
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H21N3O/c1-17-11-12-6-8-19(9-7-12)16(20)15-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,17-18H,6-9,11H2,1H3
InChIKeyQNFSXMMPZMRTNG-UHFFFAOYSA-N
XLogP2.24
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(methylaminomethyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one;hydrochloride
CID 119542618
2,2,2-trifluoro-N-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 21036988
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406
N-benzyl-1-(1H-indole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66571403

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63250609) is 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is QNFSXMMPZMRTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-11-12-6-8-19(9-7-12)16(20)15-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,17-18H,6-9,11H2,1H3.
What are the key properties of 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone?
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 271.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63250609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).