1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one

C23H29N3O2 — CID 87021906

IUPAC1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C23H29N3O2/c1-2-23(28)25-13-7-12-24(14-15-25)16-18(27)17-26-21-10-5-3-8-19(21)20-9-4-6-11-22(20)26/h3-6,8-11,18,27H,2,7,12-17H2,1H3
InChIKeyRCHOWLFRKSUUHL-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one

1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 87021906) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID87021906
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCCC(=O)N1CCCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C23H29N3O2/c1-2-23(28)25-13-7-12-24(14-15-25)16-18(27)17-26-21-10-5-3-8-19(21)20-9-4-6-11-22(20)26/h3-6,8-11,18,27H,2,7,12-17H2,1H3
InChIKeyRCHOWLFRKSUUHL-UHFFFAOYSA-N
XLogP3.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one with MolForge

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Related Compounds

1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
CID 112826175
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 87021862
4-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 42589308
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
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
tert-butyl 4-[2-hydroxy-3-(3-phenylcarbazol-9-yl)propyl]piperazine-1-carboxylate
CID 66741357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one (CID 87021906) is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one is CCC(=O)N1CCCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is RCHOWLFRKSUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-23(28)25-13-7-12-24(14-15-25)16-18(27)17-26-21-10-5-3-8-19(21)20-9-4-6-11-22(20)26/h3-6,8-11,18,27H,2,7,12-17H2,1H3.
What are the key properties of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one?
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 87021906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).