1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one

C22H25N3O2 — CID 110397481

IUPAC1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2/c26-22(10-15-27-19-6-2-1-3-7-19)25-13-11-24(12-14-25)17-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,23H,10-15,17H2
InChIKeyYQLZZRAWAVHLEJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.28
Rot. Bonds6

About 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110397481) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID110397481
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3O2/c26-22(10-15-27-19-6-2-1-3-7-19)25-13-11-24(12-14-25)17-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,23H,10-15,17H2
InChIKeyYQLZZRAWAVHLEJ-UHFFFAOYSA-N
XLogP3.28
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
benzyl 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 796405
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 19572376
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
(3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366083
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 110398604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one (CID 110397481) is 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is YQLZZRAWAVHLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-22(10-15-27-19-6-2-1-3-7-19)25-13-11-24(12-14-25)17-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,23H,10-15,17H2.
What are the key properties of 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110397481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).