2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide

C19H32N4O3 — CID 97261065

IUPAC2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(N2CCN(C[C@@H](O)CN(C)CC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H32N4O3/c1-20(2)19(25)15-21(3)13-17(24)14-22-9-11-23(12-10-22)16-5-7-18(26-4)8-6-16/h5-8,17,24H,9-15H2,1-4H3/t17-/m0/s1
InChIKeyYBVZYRZJCGMCEK-KRWDZBQOSA-N
MW364.49 g/mol
LogP0.20
Rot. Bonds8

About 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide

2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 97261065) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide
PubChem CID97261065
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide
SMILESCOc1ccc(N2CCN(C[C@@H](O)CN(C)CC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H32N4O3/c1-20(2)19(25)15-21(3)13-17(24)14-22-9-11-23(12-10-22)16-5-7-18(26-4)8-6-16/h5-8,17,24H,9-15H2,1-4H3/t17-/m0/s1
InChIKeyYBVZYRZJCGMCEK-KRWDZBQOSA-N
XLogP0.20
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
methyl (2S)-3-[[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylamino]-2-methylpropanoate
CID 95151612
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
N-(3,4-dichlorophenyl)-N-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 12724020
4-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]benzohydrazide
CID 39899728
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
CID 45283651
ethyl N-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504728
1-[2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
CID 1263693
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1080818
1-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 6493504

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide (CID 97261065) is 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide is COc1ccc(N2CCN(C[C@@H](O)CN(C)CC(=O)N(C)C)CC2)cc1.
What is the InChIKey of 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is YBVZYRZJCGMCEK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-20(2)19(25)15-21(3)13-17(24)14-22-9-11-23(12-10-22)16-5-7-18(26-4)8-6-16/h5-8,17,24H,9-15H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide?
2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 364.49 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 97261065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).