(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one

C20H26N4O2 — CID 70759850

IUPAC(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCc1cc(N2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)cc(C)n1
InChIInChI=1S/C20H26N4O2/c1-14-11-17(12-15(2)22-14)23-7-9-24(10-8-23)20(26)19(21)13-16-3-5-18(25)6-4-16/h3-6,11-12,19,25H,7-10,13,21H2,1-2H3/t19-/m0/s1
InChIKeyGDBMIMKNFWAYQU-IBGZPJMESA-N
MW354.45 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one

(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 70759850) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
PubChem CID70759850
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
SMILESCc1cc(N2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)cc(C)n1
InChIInChI=1S/C20H26N4O2/c1-14-11-17(12-15(2)22-14)23-7-9-24(10-8-23)20(26)19(21)13-16-3-5-18(25)6-4-16/h3-6,11-12,19,25H,7-10,13,21H2,1-2H3/t19-/m0/s1
InChIKeyGDBMIMKNFWAYQU-IBGZPJMESA-N
XLogP1.62
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-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-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one;dihydrochloride
CID 154896415
(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 70772401
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 104904641
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 61162867
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905212
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91828791

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one (CID 70759850) is (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one is Cc1cc(N2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)cc(C)n1.
What is the InChIKey of (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is GDBMIMKNFWAYQU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-11-17(12-15(2)22-14)23-7-9-24(10-8-23)20(26)19(21)13-16-3-5-18(25)6-4-16/h3-6,11-12,19,25H,7-10,13,21H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one?
(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 70759850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).