N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride

C19H29Cl2N3O — CID 3058673

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCN1CCN(CC(=O)NC2CCc3cc4c(cc32)CCC4)CC1.Cl.Cl
InChIInChI=1S/C19H27N3O.2ClH/c1-21-7-9-22(10-8-21)13-19(23)20-18-6-5-16-11-14-3-2-4-15(14)12-17(16)18;;/h11-12,18H,2-10,13H2,1H3,(H,20,23);2*1H
InChIKeyDGUWPFMOBDTLQS-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.37
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 3058673) has the molecular formula C19H29Cl2N3O and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
PubChem CID3058673
Molecular FormulaC19H29Cl2N3O
Molecular Weight386.37 g/mol
Exact Mass385.17
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCN1CCN(CC(=O)NC2CCc3cc4c(cc32)CCC4)CC1.Cl.Cl
InChIInChI=1S/C19H27N3O.2ClH/c1-21-7-9-22(10-8-21)13-19(23)20-18-6-5-16-11-14-3-2-4-15(14)12-17(16)18;;/h11-12,18H,2-10,13H2,1H3,(H,20,23);2*1H
InChIKeyDGUWPFMOBDTLQS-UHFFFAOYSA-N
XLogP2.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
CID 53351434
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2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
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CID 91793858
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 138016937
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride (CID 3058673) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride is CN1CCN(CC(=O)NC2CCc3cc4c(cc32)CCC4)CC1.Cl.Cl.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is DGUWPFMOBDTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.2ClH/c1-21-7-9-22(10-8-21)13-19(23)20-18-6-5-16-11-14-3-2-4-15(14)12-17(16)18;;/h11-12,18H,2-10,13H2,1H3,(H,20,23);2*1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 386.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 3058673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).