(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone

C27H34N4O — CID 141125371

IUPAC(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone
SMILESO=C(c1ccc2[nH]cc(CCN3CCNCC3)c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H34N4O/c32-27(31-14-8-22(9-15-31)18-21-4-2-1-3-5-21)23-6-7-26-25(19-23)24(20-29-26)10-13-30-16-11-28-12-17-30/h1-7,19-20,22,28-29H,8-18H2
InChIKeyOKHFURJFKCSBCI-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.71
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone

(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone (PubChem CID 141125371) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone
PubChem CID141125371
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone
SMILESO=C(c1ccc2[nH]cc(CCN3CCNCC3)c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H34N4O/c32-27(31-14-8-22(9-15-31)18-21-4-2-1-3-5-21)23-6-7-26-25(19-23)24(20-29-26)10-13-30-16-11-28-12-17-30/h1-7,19-20,22,28-29H,8-18H2
InChIKeyOKHFURJFKCSBCI-UHFFFAOYSA-N
XLogP3.71
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione
CID 138530082
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetic acid
CID 10309796
[3-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25059867
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-(4-benzylpiperidine-1-carbonyl)-5-bromo-11H-benzo[b][1,4]benzodiazepin-6-one
CID 169097564
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
2-[5-(4-benzylpiperidine-1-carbonyl)-6-methyl-1H-indol-3-yl]-2-oxoacetic acid
CID 20626155

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone (CID 141125371) is (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone is O=C(c1ccc2[nH]cc(CCN3CCNCC3)c2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone?
The InChIKey is OKHFURJFKCSBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c32-27(31-14-8-22(9-15-31)18-21-4-2-1-3-5-21)23-6-7-26-25(19-23)24(20-29-26)10-13-30-16-11-28-12-17-30/h1-7,19-20,22,28-29H,8-18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone has a molecular weight of 430.60 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-(2-piperazin-1-ylethyl)-1H-indol-5-yl]methanone is sourced from PubChem (CID 141125371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).