N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide

C20H31N3O2 — CID 139706623

IUPACN-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide
SMILESCCCOc1ccc2c(c1)C(N1CCN(CC(=O)NCC)CC1)CC2
InChIInChI=1S/C20H31N3O2/c1-3-13-25-17-7-5-16-6-8-19(18(16)14-17)23-11-9-22(10-12-23)15-20(24)21-4-2/h5,7,14,19H,3-4,6,8-13,15H2,1-2H3,(H,21,24)
InChIKeyVGPZHRXUFMPCLV-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.22
Rot. Bonds7

About N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide (PubChem CID 139706623) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide
PubChem CID139706623
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide
SMILESCCCOc1ccc2c(c1)C(N1CCN(CC(=O)NCC)CC1)CC2
InChIInChI=1S/C20H31N3O2/c1-3-13-25-17-7-5-16-6-8-19(18(16)14-17)23-11-9-22(10-12-23)15-20(24)21-4-2/h5,7,14,19H,3-4,6,8-13,15H2,1-2H3,(H,21,24)
InChIKeyVGPZHRXUFMPCLV-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide
CID 139706624
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
N-[2-(6-propoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 10912753
1-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]piperidine
CID 24771108
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-methylacetamide
CID 139706630
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 86923266
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
ethane;2-[[8-(4-phosphanylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethanamine
CID 90811726
2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide (CID 139706623) is N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide is CCCOc1ccc2c(c1)C(N1CCN(CC(=O)NCC)CC1)CC2.
What is the InChIKey of N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide?
The InChIKey is VGPZHRXUFMPCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-13-25-17-7-5-16-6-8-19(18(16)14-17)23-11-9-22(10-12-23)15-20(24)21-4-2/h5,7,14,19H,3-4,6,8-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 139706623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).