1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone

C53H56N6O6 — CID 160599397

IUPAC1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(COc1ccc(O)cc1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.O=C(c1ccccc1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C27H29N3O4.C26H27N3O2/c31-20-9-11-22(12-10-20)34-19-27(33)29-15-13-28(14-16-29)17-21(32)18-30-25-7-3-1-5-23(25)24-6-2-4-8-26(24)30;30-21(18-27-14-16-28(17-15-27)26(31)20-8-2-1-3-9-20)19-29-24-12-6-4-10-22(24)23-11-5-7-13-25(23)29/h1-12,21,31-32H,13-19H2;1-13,21,30H,14-19H2
InChIKeyREBMSLGFUYHXDT-UHFFFAOYSA-N
MW873.07 g/mol
LogP6.70
Rot. Bonds12

About 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone

1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone (PubChem CID 160599397) has the molecular formula C53H56N6O6 and a molecular weight of 873.07 g/mol. Its IUPAC name is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
PubChem CID160599397
Molecular FormulaC53H56N6O6
Molecular Weight873.07 g/mol
Exact Mass872.43
IUPAC Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(COc1ccc(O)cc1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.O=C(c1ccccc1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C27H29N3O4.C26H27N3O2/c31-20-9-11-22(12-10-20)34-19-27(33)29-15-13-28(14-16-29)17-21(32)18-30-25-7-3-1-5-23(25)24-6-2-4-8-26(24)30;30-21(18-27-14-16-28(17-15-27)26(31)20-8-2-1-3-9-20)19-29-24-12-6-4-10-22(24)23-11-5-7-13-25(23)29/h1-12,21,31-32H,13-19H2;1-13,21,30H,14-19H2
InChIKeyREBMSLGFUYHXDT-UHFFFAOYSA-N
XLogP6.70
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.07
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 87021906
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
1-carbazol-9-yl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]propan-2-ol;oxalic acid
CID 2905393
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
[4-[(3R)-4-[4-[(2S)-4-(4-benzoylpiperazin-1-yl)-2-hydroxybutoxy]phenoxy]-3-hydroxybutyl]piperazin-1-yl]-phenylmethanone
CID 98311938
4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 56803124
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone (CID 160599397) is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone is O=C(COc1ccc(O)cc1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.O=C(c1ccccc1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is REBMSLGFUYHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4.C26H27N3O2/c31-20-9-11-22(12-10-20)34-19-27(33)29-15-13-28(14-16-29)17-21(32)18-30-25-7-3-1-5-23(25)24-6-2-4-8-26(24)30;30-21(18-27-14-16-28(17-15-27)26(31)20-8-2-1-3-9-20)19-29-24-12-6-4-10-22(24)23-11-5-7-13-25(23)29/h1-12,21,31-32H,13-19H2;1-13,21,30H,14-19H2.
What are the key properties of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone?
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 873.07 g/mol, XLogP of 6.70, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 160599397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).