2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C17H25N3O — CID 43130627

IUPAC2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc2c1CCCC2)N1CCNCC1
InChIInChI=1S/C17H25N3O/c1-13(20-11-9-18-10-12-20)17(21)19-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8,13,18H,2-3,5,7,9-12H2,1H3,(H,19,21)
InChIKeyXUHSHYKOMOIHMJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.80
Rot. Bonds3

About 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 43130627) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID43130627
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc2c1CCCC2)N1CCNCC1
InChIInChI=1S/C17H25N3O/c1-13(20-11-9-18-10-12-20)17(21)19-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8,13,18H,2-3,5,7,9-12H2,1H3,(H,19,21)
InChIKeyXUHSHYKOMOIHMJ-UHFFFAOYSA-N
XLogP1.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
CID 103480528
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 63121470
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 43130627) is 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is CC(C(=O)Nc1cccc2c1CCCC2)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is XUHSHYKOMOIHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(20-11-9-18-10-12-20)17(21)19-16-8-4-6-14-5-2-3-7-15(14)16/h4,6,8,13,18H,2-3,5,7,9-12H2,1H3,(H,19,21).
What are the key properties of 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 43130627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).