[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C21H23N3O2 — CID 796405

IUPAC[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-18-8-6-16(7-9-18)21(25)24-12-10-23(11-13-24)15-17-14-22-20-5-3-2-4-19(17)20/h2-9,14,22H,10-13,15H2,1H3
InChIKeyOYMUYAHPXQOLLE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.13
Rot. Bonds4

About [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 796405) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID796405
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-18-8-6-16(7-9-18)21(25)24-12-10-23(11-13-24)15-17-14-22-20-5-3-2-4-19(17)20/h2-9,14,22H,10-13,15H2,1H3
InChIKeyOYMUYAHPXQOLLE-UHFFFAOYSA-N
XLogP3.13
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366083
[4-(4-benzylpiperazine-1-carbonyl)phenyl] 2-(1H-indol-3-yl)acetate
CID 10837383
1-(1H-indol-3-yl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethane-1,2-dione
CID 45486636
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1112858
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110397481
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 796405) is [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OYMUYAHPXQOLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-18-8-6-16(7-9-18)21(25)24-12-10-23(11-13-24)15-17-14-22-20-5-3-2-4-19(17)20/h2-9,14,22H,10-13,15H2,1H3.
What are the key properties of [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 349.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 796405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).