2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride

C19H28ClN3O2 — CID 17420279

IUPAC2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-2-8-20-18(23)14-21-9-11-22(12-10-21)19(24)17-7-6-15-4-3-5-16(15)13-17;/h6-7,13H,2-5,8-12,14H2,1H3,(H,20,23);1H
InChIKeyICOOXXNMKKNDNV-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride

2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride (PubChem CID 17420279) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
PubChem CID17420279
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-2-8-20-18(23)14-21-9-11-22(12-10-21)19(24)17-7-6-15-4-3-5-16(15)13-17;/h6-7,13H,2-5,8-12,14H2,1H3,(H,20,23);1H
InChIKeyICOOXXNMKKNDNV-UHFFFAOYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide
CID 35358956
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 102603763
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779852
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43251620
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
2-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55372681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride (CID 17420279) is 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride is CCCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.Cl.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride?
The InChIKey is ICOOXXNMKKNDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-2-8-20-18(23)14-21-9-11-22(12-10-21)19(24)17-7-6-15-4-3-5-16(15)13-17;/h6-7,13H,2-5,8-12,14H2,1H3,(H,20,23);1H.
What are the key properties of 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride?
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 17420279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).