(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C19H26N4O2 — CID 119767401

IUPAC(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)16(20)18(25)23-10-8-22(9-11-23)17(24)15-12-13-6-4-5-7-14(13)21-15/h4-7,12,16,21H,8-11,20H2,1-3H3/t16-/m1/s1
InChIKeyQJGCQTLOFXDLDB-MRXNPFEDSA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds2

About (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 119767401) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID119767401
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)16(20)18(25)23-10-8-22(9-11-23)17(24)15-12-13-6-4-5-7-14(13)21-15/h4-7,12,16,21H,8-11,20H2,1-3H3/t16-/m1/s1
InChIKeyQJGCQTLOFXDLDB-MRXNPFEDSA-N
XLogP1.83
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119951047
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 119767401) is (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)[C@H](N)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is QJGCQTLOFXDLDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)16(20)18(25)23-10-8-22(9-11-23)17(24)15-12-13-6-4-5-7-14(13)21-15/h4-7,12,16,21H,8-11,20H2,1-3H3/t16-/m1/s1.
What are the key properties of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 342.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 119767401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).