prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate

C22H33N3O2 — CID 145300241

IUPACprop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate
SMILESC=CCOC(=O)N(C)CCC1C[C@@H](C)c2cc(N3CCN(C)CC3)ccc21
InChIInChI=1S/C22H33N3O2/c1-5-14-27-22(26)24(4)9-8-18-15-17(2)21-16-19(6-7-20(18)21)25-12-10-23(3)11-13-25/h5-7,16-18H,1,8-15H2,2-4H3/t17-,18?/m1/s1
InChIKeyYYFPFRUBGPTKQI-QNSVNVJESA-N
MW371.53 g/mol
LogP3.67
Rot. Bonds6

About prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate

prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate (PubChem CID 145300241) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate
PubChem CID145300241
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Nameprop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate
SMILESC=CCOC(=O)N(C)CCC1C[C@@H](C)c2cc(N3CCN(C)CC3)ccc21
InChIInChI=1S/C22H33N3O2/c1-5-14-27-22(26)24(4)9-8-18-15-17(2)21-16-19(6-7-20(18)21)25-12-10-23(3)11-13-25/h5-7,16-18H,1,8-15H2,2-4H3/t17-,18?/m1/s1
InChIKeyYYFPFRUBGPTKQI-QNSVNVJESA-N
XLogP3.67
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

propyl 3-[4-[(1S,3R)-3-methyl-1-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-2,3-dihydro-1H-inden-5-yl]piperazin-1-yl]propanoate
CID 138464733
N-benzyl-N-methyl-2-[(1S,3R)-3-methyl-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 146199887
N-[2-[(1R)-2,3-dimethyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]-N-methyl-3-phenylpropanamide
CID 145300269
benzyl N-[2-[(1R)-2,3-dimethyl-5-[4-(4-phenylbenzoyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-yl]ethyl]-N-methylcarbamate
CID 145300220
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 170459088
3-[4-(4-methylpiperazin-1-yl)-N-prop-2-enylanilino]propanoic acid
CID 82317590
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
4-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]butan-2-one
CID 167537986
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
prop-2-enyl 2-(4-methylpiperazin-1-yl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzoate
CID 91677188
(8R)-9-methyl-5-(4-methylpiperazin-1-yl)-10-prop-2-enyl-9-aza-10-phosphatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 145300297

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate (CID 145300241) is prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate is C=CCOC(=O)N(C)CCC1C[C@@H](C)c2cc(N3CCN(C)CC3)ccc21.
What is the InChIKey of prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate?
The InChIKey is YYFPFRUBGPTKQI-QNSVNVJESA-N. The full InChI is InChI=1S/C22H33N3O2/c1-5-14-27-22(26)24(4)9-8-18-15-17(2)21-16-19(6-7-20(18)21)25-12-10-23(3)11-13-25/h5-7,16-18H,1,8-15H2,2-4H3/t17-,18?/m1/s1.
What are the key properties of prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate?
prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate has a molecular weight of 371.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-methyl-N-[2-[(3R)-3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]carbamate is sourced from PubChem (CID 145300241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).