N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide

C20H31N3O2 — CID 98706500

IUPACN-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCN1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16(24)14-20(2,3)21-19(25)10-11-23-13-12-22(4)15-18(23)17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3,(H,21,25)/t18-/m0/s1
InChIKeyQUVZRTFUYFHGNG-SFHVURJKSA-N
MW345.49 g/mol
LogP2.24
Rot. Bonds7

About N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide

N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide (PubChem CID 98706500) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide
PubChem CID98706500
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCN1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-16(24)14-20(2,3)21-19(25)10-11-23-13-12-22(4)15-18(23)17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3,(H,21,25)/t18-/m0/s1
InChIKeyQUVZRTFUYFHGNG-SFHVURJKSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
4-(2-phenylaziridin-1-yl)butan-2-one
CID 561043
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 42958850
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide (CID 98706500) is N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide is CC(=O)CC(C)(C)NC(=O)CCN1CCN(C)C[C@H]1c1ccccc1.
What is the InChIKey of N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide?
The InChIKey is QUVZRTFUYFHGNG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(24)14-20(2,3)21-19(25)10-11-23-13-12-22(4)15-18(23)17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide?
N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-2-yl)-3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propanamide is sourced from PubChem (CID 98706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).