1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone

C18H26ClN3O2 — CID 72929272

IUPAC1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CCN(c3cccc(Cl)c3)CC2)CC(O)C1
InChIInChI=1S/C18H26ClN3O2/c1-14(23)21-9-10-22(13-18(24)12-21)16-5-7-20(8-6-16)17-4-2-3-15(19)11-17/h2-4,11,16,18,24H,5-10,12-13H2,1H3
InChIKeyFRSZEXQHHAPPGB-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.83
Rot. Bonds2

About 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone

1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone (PubChem CID 72929272) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone
PubChem CID72929272
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CCN(c3cccc(Cl)c3)CC2)CC(O)C1
InChIInChI=1S/C18H26ClN3O2/c1-14(23)21-9-10-22(13-18(24)12-21)16-5-7-20(8-6-16)17-4-2-3-15(19)11-17/h2-4,11,16,18,24H,5-10,12-13H2,1H3
InChIKeyFRSZEXQHHAPPGB-UHFFFAOYSA-N
XLogP1.83
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
1-[6-hydroxy-4-(1-phenylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 86284739
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone (CID 72929272) is 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCN(C2CCN(c3cccc(Cl)c3)CC2)CC(O)C1.
What is the InChIKey of 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone?
The InChIKey is FRSZEXQHHAPPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-14(23)21-9-10-22(13-18(24)12-21)16-5-7-20(8-6-16)17-4-2-3-15(19)11-17/h2-4,11,16,18,24H,5-10,12-13H2,1H3.
What are the key properties of 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone?
1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone has a molecular weight of 351.88 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-chlorophenyl)piperidin-4-yl]-6-hydroxy-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 72929272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).