[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

C25H28N4O2 — CID 90511889

IUPAC[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C25H28N4O2/c30-24(28-14-12-27(13-15-28)11-10-19-6-2-1-3-7-19)20-17-29(18-20)25(31)22-16-26-23-9-5-4-8-21(22)23/h1-9,16,20,26H,10-15,17-18H2
InChIKeyHMUKIWQTGWPNEV-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.63
Rot. Bonds5

About [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone

[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 90511889) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID90511889
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C25H28N4O2/c30-24(28-14-12-27(13-15-28)11-10-19-6-2-1-3-7-19)20-17-29(18-20)25(31)22-16-26-23-9-5-4-8-21(22)23/h1-9,16,20,26H,10-15,17-18H2
InChIKeyHMUKIWQTGWPNEV-UHFFFAOYSA-N
XLogP2.63
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90511890
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90513799
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 90511889) is [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CC(C(=O)N2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is HMUKIWQTGWPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(28-14-12-27(13-15-28)11-10-19-6-2-1-3-7-19)20-17-29(18-20)25(31)22-16-26-23-9-5-4-8-21(22)23/h1-9,16,20,26H,10-15,17-18H2.
What are the key properties of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90511889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).