1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone

C20H22N4O2 — CID 53185116

IUPAC1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1
InChIInChI=1S/C20H22N4O2/c1-26-19-5-2-15(13-22-19)14-23-8-10-24(11-9-23)20(25)17-3-4-18-16(12-17)6-7-21-18/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyPSFQEDMWMROGOH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.53
Rot. Bonds4

About 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone

1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 53185116) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID53185116
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1
InChIInChI=1S/C20H22N4O2/c1-26-19-5-2-15(13-22-19)14-23-8-10-24(11-9-23)20(25)17-3-4-18-16(12-17)6-7-21-18/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyPSFQEDMWMROGOH-UHFFFAOYSA-N
XLogP2.53
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704250
[4-[2-(1H-indol-5-yloxy)ethyl]piperazin-1-yl]-(5-methoxypyrazin-2-yl)methanone
CID 90683533
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
(2-ethylpyrazol-3-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185138
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
CID 118397054
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 86284048

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone (CID 53185116) is 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1.
What is the InChIKey of 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PSFQEDMWMROGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-19-5-2-15(13-22-19)14-23-8-10-24(11-9-23)20(25)17-3-4-18-16(12-17)6-7-21-18/h2-7,12-13,21H,8-11,14H2,1H3.
What are the key properties of 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone?
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53185116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).