2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide

C19H29N3O2 — CID 139706624

IUPAC2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C2CCc3ccc(OCC)cc32)CC1
InChIInChI=1S/C19H29N3O2/c1-3-20-19(23)14-21-9-11-22(12-10-21)18-8-6-15-5-7-16(24-4-2)13-17(15)18/h5,7,13,18H,3-4,6,8-12,14H2,1-2H3,(H,20,23)
InChIKeyHHTBILBRPOKYHS-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.83
Rot. Bonds6

About 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide

2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide (PubChem CID 139706624) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide
PubChem CID139706624
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C2CCc3ccc(OCC)cc32)CC1
InChIInChI=1S/C19H29N3O2/c1-3-20-19(23)14-21-9-11-22(12-10-21)18-8-6-15-5-7-16(24-4-2)13-17(15)18/h5,7,13,18H,3-4,6,8-12,14H2,1-2H3,(H,20,23)
InChIKeyHHTBILBRPOKYHS-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide
CID 139706623
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169609
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137
1-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]piperidine
CID 24771108
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide (CID 139706624) is 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C2CCc3ccc(OCC)cc32)CC1.
What is the InChIKey of 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide?
The InChIKey is HHTBILBRPOKYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-20-19(23)14-21-9-11-22(12-10-21)18-8-6-15-5-7-16(24-4-2)13-17(15)18/h5,7,13,18H,3-4,6,8-12,14H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide?
2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide has a molecular weight of 331.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 139706624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).