[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C30H38N4O4 — CID 68566145

IUPAC[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3c[nH]c4cc(C(=O)N5CCN(C(C)C)CC5)ccc34)C2)cc1OC
InChIInChI=1S/C30H38N4O4/c1-20(2)32-12-14-33(15-13-32)29(35)21-7-9-24-25(18-31-26(24)16-21)23-6-5-11-34(19-23)30(36)22-8-10-27(37-3)28(17-22)38-4/h7-10,16-18,20,23,31H,5-6,11-15,19H2,1-4H3
InChIKeyHJDMMIJPEODQTM-UHFFFAOYSA-N
MW518.66 g/mol
LogP4.37
Rot. Bonds6

About [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68566145) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68566145
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC Name[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3c[nH]c4cc(C(=O)N5CCN(C(C)C)CC5)ccc34)C2)cc1OC
InChIInChI=1S/C30H38N4O4/c1-20(2)32-12-14-33(15-13-32)29(35)21-7-9-24-25(18-31-26(24)16-21)23-6-5-11-34(19-23)30(36)22-8-10-27(37-3)28(17-22)38-4/h7-10,16-18,20,23,31H,5-6,11-15,19H2,1-4H3
InChIKeyHJDMMIJPEODQTM-UHFFFAOYSA-N
XLogP4.37
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68562480
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 42842307
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 42932428
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68566145) is [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCCC(c3c[nH]c4cc(C(=O)N5CCN(C(C)C)CC5)ccc34)C2)cc1OC.
What is the InChIKey of [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is HJDMMIJPEODQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-20(2)32-12-14-33(15-13-32)29(35)21-7-9-24-25(18-31-26(24)16-21)23-6-5-11-34(19-23)30(36)22-8-10-27(37-3)28(17-22)38-4/h7-10,16-18,20,23,31H,5-6,11-15,19H2,1-4H3.
What are the key properties of [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 518.66 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68566145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).