2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide

C20H27ClN4O3 — CID 30543359

IUPAC2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1Cl
InChIInChI=1S/C20H27ClN4O3/c21-17-7-3-2-6-16(17)20(28)22-14-18(26)25-12-10-23(11-13-25)15-19(27)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2,(H,22,28)
InChIKeyQHAHFJXRSDESNT-UHFFFAOYSA-N
MW406.91 g/mol
LogP1.23
Rot. Bonds5

About 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide

2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 30543359) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
PubChem CID30543359
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC Name2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1Cl
InChIInChI=1S/C20H27ClN4O3/c21-17-7-3-2-6-16(17)20(28)22-14-18(26)25-12-10-23(11-13-25)15-19(27)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2,(H,22,28)
InChIKeyQHAHFJXRSDESNT-UHFFFAOYSA-N
XLogP1.23
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 46523795
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46453696
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
2-chloro-N-[4-methylsulfanyl-1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 55376070
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide (CID 30543359) is 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is QHAHFJXRSDESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O3/c21-17-7-3-2-6-16(17)20(28)22-14-18(26)25-12-10-23(11-13-25)15-19(27)24-8-4-1-5-9-24/h2-3,6-7H,1,4-5,8-15H2,(H,22,28).
What are the key properties of 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 406.91 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 30543359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).