(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one

C20H27N3O3 — CID 52525158

IUPAC(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1)c1ccccc1
InChIInChI=1S/C20H27N3O3/c1-20(2,16-6-4-3-5-7-16)19(26)23-12-10-22(11-13-23)18(25)15-8-9-17(24)21-14-15/h3-7,15H,8-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeySTEFGRJRHOVJRD-OAHLLOKOSA-N
MW357.45 g/mol
LogP1.16
Rot. Bonds3

About (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one

(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 52525158) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID52525158
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1)c1ccccc1
InChIInChI=1S/C20H27N3O3/c1-20(2,16-6-4-3-5-7-16)19(26)23-12-10-22(11-13-23)18(25)15-8-9-17(24)21-14-15/h3-7,15H,8-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeySTEFGRJRHOVJRD-OAHLLOKOSA-N
XLogP1.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
CID 76986559
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
CID 115776440
2-methyl-2-phenyl-1-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 39998005
4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
CID 78954698
5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 78928154
5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidin-2-one
CID 112732285

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one (CID 52525158) is (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one is CC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1)c1ccccc1.
What is the InChIKey of (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is STEFGRJRHOVJRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(2,16-6-4-3-5-7-16)19(26)23-12-10-22(11-13-23)18(25)15-8-9-17(24)21-14-15/h3-7,15H,8-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one?
(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 52525158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).