(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride

C19H27ClN4O2 — CID 119767428

IUPAC(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(2)11-15(20)18(24)22-7-9-23(10-8-22)19(25)17-12-14-5-3-4-6-16(14)21-17;/h3-6,12-13,15,21H,7-11,20H2,1-2H3;1H/t15-;/m0./s1
InChIKeyWKLHHBCXUYGVHQ-RSAXXLAASA-N
MW378.90 g/mol
LogP2.25
Rot. Bonds4

About (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride

(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride (PubChem CID 119767428) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
PubChem CID119767428
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13(2)11-15(20)18(24)22-7-9-23(10-8-22)19(25)17-12-14-5-3-4-6-16(14)21-17;/h3-6,12-13,15,21H,7-11,20H2,1-2H3;1H/t15-;/m0./s1
InChIKeyWKLHHBCXUYGVHQ-RSAXXLAASA-N
XLogP2.25
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951046
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119951047
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride (CID 119767428) is (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride is CC(C)C[C@H](N)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
The InChIKey is WKLHHBCXUYGVHQ-RSAXXLAASA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-13(2)11-15(20)18(24)22-7-9-23(10-8-22)19(25)17-12-14-5-3-4-6-16(14)21-17;/h3-6,12-13,15,21H,7-11,20H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.25, 4 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]-4-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119767428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).