N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide

C21H32N4O2 — CID 30722810

IUPACN-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C21H32N4O2/c1-17-6-8-19(9-7-17)22-20(26)16-23-12-14-24(15-13-23)18(2)21(27)25-10-4-3-5-11-25/h6-9,18H,3-5,10-16H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyKGCXFWNUCFYYJI-GOSISDBHSA-N
MW372.51 g/mol
LogP1.95
Rot. Bonds5

About N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide (PubChem CID 30722810) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
PubChem CID30722810
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C21H32N4O2/c1-17-6-8-19(9-7-17)22-20(26)16-23-12-14-24(15-13-23)18(2)21(27)25-10-4-3-5-11-25/h6-9,18H,3-5,10-16H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyKGCXFWNUCFYYJI-GOSISDBHSA-N
XLogP1.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
2-[4-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 51731001
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
2-[4-[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 51887236
2-[4-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435978
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 18196358
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 134045373
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide (CID 30722810) is N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN([C@H](C)C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide?
The InChIKey is KGCXFWNUCFYYJI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-6-8-19(9-7-17)22-20(26)16-23-12-14-24(15-13-23)18(2)21(27)25-10-4-3-5-11-25/h6-9,18H,3-5,10-16H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30722810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).