N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide

C20H31N3O2 — CID 45139976

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
SMILESCCCN(C(=O)CN1CCNCC1)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C20H31N3O2/c1-3-10-23(20(24)15-22-11-8-21-9-12-22)18-6-4-16-5-7-19(25-2)14-17(16)13-18/h5,7,14,18,21H,3-4,6,8-13,15H2,1-2H3
InChIKeyLXLQQOHBOMUUDI-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.70
Rot. Bonds6

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide (PubChem CID 45139976) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
PubChem CID45139976
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
SMILESCCCN(C(=O)CN1CCNCC1)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C20H31N3O2/c1-3-10-23(20(24)15-22-11-8-21-9-12-22)18-6-4-16-5-7-19(25-2)14-17(16)13-18/h5,7,14,18,21H,3-4,6,8-13,15H2,1-2H3
InChIKeyLXLQQOHBOMUUDI-UHFFFAOYSA-N
XLogP1.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
CID 115510861
7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22560624
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
CID 69361135
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191739
N-(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2,2-trifluoro-N-propylacetamide;2,2,2-trifluoro-N-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylacetamide
CID 161065922
4-[4-[ethyl-(5-methoxy-2,3-dihydro-1H-inden-2-yl)amino]butyl]-1,4-diazepan-5-one
CID 22640269
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide (CID 45139976) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide is CCCN(C(=O)CN1CCNCC1)C1CCc2ccc(OC)cc2C1.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide?
The InChIKey is LXLQQOHBOMUUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-10-23(20(24)15-22-11-8-21-9-12-22)18-6-4-16-5-7-19(25-2)14-17(16)13-18/h5,7,14,18,21H,3-4,6,8-13,15H2,1-2H3.
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide has a molecular weight of 345.49 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide is sourced from PubChem (CID 45139976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).