(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone

C27H29N3O — CID 99955888

IUPAC(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H29N3O/c31-27(29-18-16-28(17-19-29)20-22-6-2-1-3-7-22)25-12-10-23(11-13-25)21-30-15-14-24-8-4-5-9-26(24)30/h1-13H,14-21H2
InChIKeyMUTQJDLRFVVWKQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.21
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone

(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone (PubChem CID 99955888) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
PubChem CID99955888
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H29N3O/c31-27(29-18-16-28(17-19-29)20-22-6-2-1-3-7-22)25-12-10-23(11-13-25)21-30-15-14-24-8-4-5-9-26(24)30/h1-13H,14-21H2
InChIKeyMUTQJDLRFVVWKQ-UHFFFAOYSA-N
XLogP4.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46762925
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 92675302
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 99950717
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 99953653

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone (CID 99955888) is (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone?
The InChIKey is MUTQJDLRFVVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c31-27(29-18-16-28(17-19-29)20-22-6-2-1-3-7-22)25-12-10-23(11-13-25)21-30-15-14-24-8-4-5-9-26(24)30/h1-13H,14-21H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone has a molecular weight of 411.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 99955888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).