4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide

C20H23ClN4O2 — CID 71704556

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1cccnc1
InChIInChI=1S/C20H23ClN4O2/c21-17-4-1-5-18(13-17)24-9-11-25(12-10-24)20(27)7-6-19(26)23-15-16-3-2-8-22-14-16/h1-5,8,13-14H,6-7,9-12,15H2,(H,23,26)
InChIKeyRLOVBSYUZPLXBG-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.48
Rot. Bonds6

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide

4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 71704556) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
PubChem CID71704556
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1cccnc1
InChIInChI=1S/C20H23ClN4O2/c21-17-4-1-5-18(13-17)24-9-11-25(12-10-24)20(27)7-6-19(26)23-15-16-3-2-8-22-14-16/h1-5,8,13-14H,6-7,9-12,15H2,(H,23,26)
InChIKeyRLOVBSYUZPLXBG-UHFFFAOYSA-N
XLogP2.48
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108947620
N-[(3-chlorophenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084504
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
4-(3-chlorophenyl)-N'-methyl-N-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111186842
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
4-(3-bromo-4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108593
(E)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 38006125
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide (CID 71704556) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide is O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NCc1cccnc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is RLOVBSYUZPLXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-17-4-1-5-18(13-17)24-9-11-25(12-10-24)20(27)7-6-19(26)23-15-16-3-2-8-22-14-16/h1-5,8,13-14H,6-7,9-12,15H2,(H,23,26).
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide?
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 386.88 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 71704556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).