2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide

C27H35ClN4O2 — CID 21070933

IUPAC2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)C1CCc2cccc(N3CCN(C(=O)CCc4ccc(Cl)cc4)CC3)c2C1
InChIInChI=1S/C27H35ClN4O2/c1-2-30(19-26(29)33)23-12-9-21-4-3-5-25(24(21)18-23)31-14-16-32(17-15-31)27(34)13-8-20-6-10-22(28)11-7-20/h3-7,10-11,23H,2,8-9,12-19H2,1H3,(H2,29,33)
InChIKeyAQSZWGCBWFQZNX-UHFFFAOYSA-N
MW483.06 g/mol
LogP3.29
Rot. Bonds8

About 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide

2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide (PubChem CID 21070933) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide
PubChem CID21070933
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC Name2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)C1CCc2cccc(N3CCN(C(=O)CCc4ccc(Cl)cc4)CC3)c2C1
InChIInChI=1S/C27H35ClN4O2/c1-2-30(19-26(29)33)23-12-9-21-4-3-5-25(24(21)18-23)31-14-16-32(17-15-31)27(34)13-8-20-6-10-22(28)11-7-20/h3-7,10-11,23H,2,8-9,12-19H2,1H3,(H2,29,33)
InChIKeyAQSZWGCBWFQZNX-UHFFFAOYSA-N
XLogP3.29
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.06
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
N-[(2R)-1-[4-[(7R)-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-3-(4-ethylphenyl)-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 142156473
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
2-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(2-fluorophenyl)ethyl]-ethylamino]acetamide
CID 173168511
4-[2-[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]phenyl]ethylamino]-5-cyclopropyl-2-methylpentanamide
CID 173218584
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
N,N-dimethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 22082789
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide?
The IUPAC name of 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide (CID 21070933) is 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide?
The canonical SMILES for 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide is CCN(CC(N)=O)C1CCc2cccc(N3CCN(C(=O)CCc4ccc(Cl)cc4)CC3)c2C1.
What is the InChIKey of 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide?
The InChIKey is AQSZWGCBWFQZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-2-30(19-26(29)33)23-12-9-21-4-3-5-25(24(21)18-23)31-14-16-32(17-15-31)27(34)13-8-20-6-10-22(28)11-7-20/h3-7,10-11,23H,2,8-9,12-19H2,1H3,(H2,29,33).
What are the key properties of 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide?
2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide has a molecular weight of 483.06 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-ethylamino]acetamide is sourced from PubChem (CID 21070933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).