1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

C20H26ClN3O4 — CID 127255202

IUPAC1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione
SMILESO=C1CN(C(=O)CCCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1
InChIInChI=1S/C20H26ClN3O4/c21-16-6-4-15(5-7-16)20(28)8-11-23(12-9-20)18(26)2-1-3-19(27)24-13-10-22-17(25)14-24/h4-7,28H,1-3,8-14H2,(H,22,25)
InChIKeyKLQGNHVZNGNJOK-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.28
Rot. Bonds5

About 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione (PubChem CID 127255202) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione
PubChem CID127255202
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione
SMILESO=C1CN(C(=O)CCCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1
InChIInChI=1S/C20H26ClN3O4/c21-16-6-4-15(5-7-16)20(28)8-11-23(12-9-20)18(26)2-1-3-19(27)24-13-10-22-17(25)14-24/h4-7,28H,1-3,8-14H2,(H,22,25)
InChIKeyKLQGNHVZNGNJOK-UHFFFAOYSA-N
XLogP1.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione with MolForge

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Related Compounds

6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 124876525
4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
CID 95146154
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one
CID 47367116
1-(3-oxopiperazin-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 127255241
2-(4-chloroindol-1-yl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethanone
CID 39313404
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45220106
4-pentanoyl-1,4-diazepan-2-one
CID 62898703

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione?
The IUPAC name of 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione (CID 127255202) is 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione?
The canonical SMILES for 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione is O=C1CN(C(=O)CCCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione?
The InChIKey is KLQGNHVZNGNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c21-16-6-4-15(5-7-16)20(28)8-11-23(12-9-20)18(26)2-1-3-19(27)24-13-10-22-17(25)14-24/h4-7,28H,1-3,8-14H2,(H,22,25).
What are the key properties of 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione?
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione has a molecular weight of 407.90 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione is sourced from PubChem (CID 127255202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).