N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

C21H32N4O3 — CID 131929315

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-15(2)25-13-10-22-21(27)19(25)14-20(26)23-16-4-6-17(7-5-16)28-18-8-11-24(3)12-9-18/h4-7,15,18-19H,8-14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyQXWXGPDCCLNZGQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.70
Rot. Bonds6

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 131929315) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID131929315
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-15(2)25-13-10-22-21(27)19(25)14-20(26)23-16-4-6-17(7-5-16)28-18-8-11-24(3)12-9-18/h4-7,15,18-19H,8-14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyQXWXGPDCCLNZGQ-UHFFFAOYSA-N
XLogP1.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 131905975
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 132669905
methyl 2-methyl-2-[[2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetyl]amino]propanoate
CID 95124713
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 131942501
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 131929315) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is CC(C)N1CCNC(=O)C1CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is QXWXGPDCCLNZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(2)25-13-10-22-21(27)19(25)14-20(26)23-16-4-6-17(7-5-16)28-18-8-11-24(3)12-9-18/h4-7,15,18-19H,8-14H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 131929315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).