N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide

C15H22N3O+ — CID 9204936

IUPACN-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESC[NH+]1CCN(NC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)16-15(19)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3,(H,16,19)/p+1
InChIKeyROFDOIXYUMTEHS-UHFFFAOYSA-O
MW260.36 g/mol
LogP-0.35
Rot. Bonds2

About N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide

N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9204936) has the molecular formula C15H22N3O+ and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9204936
Molecular FormulaC15H22N3O+
Molecular Weight260.36 g/mol
Exact Mass260.18
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESC[NH+]1CCN(NC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)16-15(19)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3,(H,16,19)/p+1
InChIKeyROFDOIXYUMTEHS-UHFFFAOYSA-O
XLogP-0.35
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpiperazin-4-ium-1-yl)-3-(trifluoromethyl)benzamide
CID 7346548
3-cyano-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9205107
N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide
CID 9205344
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9204709
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide
CID 9204883
N-(4-methylpiperazin-4-ium-1-yl)-3-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 2316979
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 9204936) is N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide is C[NH+]1CCN(NC(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ROFDOIXYUMTEHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O/c1-17-7-9-18(10-8-17)16-15(19)14-6-5-12-3-2-4-13(12)11-14/h5-6,11H,2-4,7-10H2,1H3,(H,16,19)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9204936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).