3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide

C27H37ClN4O2 — CID 173169137

IUPAC3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide
SMILESCCCN(CCC(N)=O)CC(c1ccccc1)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H37ClN4O2/c1-2-15-30(16-14-26(29)33)21-25(23-6-4-3-5-7-23)31-17-19-32(20-18-31)27(34)13-10-22-8-11-24(28)12-9-22/h3-9,11-12,25H,2,10,13-21H2,1H3,(H2,29,33)
InChIKeyXPNUIIMTQDDVRB-UHFFFAOYSA-N
MW485.07 g/mol
LogP3.75
Rot. Bonds12

About 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide

3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide (PubChem CID 173169137) has the molecular formula C27H37ClN4O2 and a molecular weight of 485.07 g/mol. Its IUPAC name is 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide.

Molecular Properties

Compound Name3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide
PubChem CID173169137
Molecular FormulaC27H37ClN4O2
Molecular Weight485.07 g/mol
Exact Mass484.26
IUPAC Name3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide
SMILESCCCN(CCC(N)=O)CC(c1ccccc1)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H37ClN4O2/c1-2-15-30(16-14-26(29)33)21-25(23-6-4-3-5-7-23)31-17-19-32(20-18-31)27(34)13-10-22-8-11-24(28)12-9-22/h3-9,11-12,25H,2,10,13-21H2,1H3,(H2,29,33)
InChIKeyXPNUIIMTQDDVRB-UHFFFAOYSA-N
XLogP3.75
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.07
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide
CID 173168511
tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
CID 58786483
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
methyl 2-(4-chlorophenyl)-2-[4-[3-(4-cyanophenyl)propanoyl]piperazin-1-yl]acetate
CID 46431367
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide?
The IUPAC name of 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide (CID 173169137) is 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide.
What is the SMILES notation for 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide?
The canonical SMILES for 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide is CCCN(CCC(N)=O)CC(c1ccccc1)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide?
The InChIKey is XPNUIIMTQDDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN4O2/c1-2-15-30(16-14-26(29)33)21-25(23-6-4-3-5-7-23)31-17-19-32(20-18-31)27(34)13-10-22-8-11-24(28)12-9-22/h3-9,11-12,25H,2,10,13-21H2,1H3,(H2,29,33).
What are the key properties of 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide?
3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide has a molecular weight of 485.07 g/mol, XLogP of 3.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide is sourced from PubChem (CID 173169137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).