(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide

C22H32N4O2 — CID 167953557

IUPAC(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc3c2CCC3)C(CNC(=O)[C@@H]2CCCN2C)C1
InChIInChI=1S/C22H32N4O2/c1-24-12-13-26(22(28)19-9-4-7-16-6-3-8-18(16)19)17(15-24)14-23-21(27)20-10-5-11-25(20)2/h4,7,9,17,20H,3,5-6,8,10-15H2,1-2H3,(H,23,27)/t17?,20-/m0/s1
InChIKeyVLFBKOVYFZKMAE-OZBJMMHXSA-N
MW384.52 g/mol
LogP1.14
Rot. Bonds4

About (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide

(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 167953557) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID167953557
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc3c2CCC3)C(CNC(=O)[C@@H]2CCCN2C)C1
InChIInChI=1S/C22H32N4O2/c1-24-12-13-26(22(28)19-9-4-7-16-6-3-8-18(16)19)17(15-24)14-23-21(27)20-10-5-11-25(20)2/h4,7,9,17,20H,3,5-6,8,10-15H2,1-2H3,(H,23,27)/t17?,20-/m0/s1
InChIKeyVLFBKOVYFZKMAE-OZBJMMHXSA-N
XLogP1.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide (CID 167953557) is (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide is CN1CCN(C(=O)c2cccc3c2CCC3)C(CNC(=O)[C@@H]2CCCN2C)C1.
What is the InChIKey of (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is VLFBKOVYFZKMAE-OZBJMMHXSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-24-12-13-26(22(28)19-9-4-7-16-6-3-8-18(16)19)17(15-24)14-23-21(27)20-10-5-11-25(20)2/h4,7,9,17,20H,3,5-6,8,10-15H2,1-2H3,(H,23,27)/t17?,20-/m0/s1.
What are the key properties of (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide?
(2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2,3-dihydro-1H-indene-4-carbonyl)-4-methylpiperazin-2-yl]methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167953557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).