[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid

C24H36N4O4 — CID 68646784

IUPAC[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid
SMILESCN1CCN(C2CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CCc3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C24H36N4O4/c1-24(2,12-9-18-7-5-4-6-8-18)21(25-23(31)32)22(30)27-13-10-19(11-14-27)28-16-15-26(3)17-20(28)29/h4-8,19,21,25H,9-17H2,1-3H3,(H,31,32)/t21-/m0/s1
InChIKeyHLMGXNKLKJQZHH-NRFANRHFSA-N
MW444.58 g/mol
LogP2.05
Rot. Bonds7

About [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid

[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid (PubChem CID 68646784) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid
PubChem CID68646784
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid
SMILESCN1CCN(C2CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CCc3ccccc3)CC2)C(=O)C1
InChIInChI=1S/C24H36N4O4/c1-24(2,12-9-18-7-5-4-6-8-18)21(25-23(31)32)22(30)27-13-10-19(11-14-27)28-16-15-26(3)17-20(28)29/h4-8,19,21,25H,9-17H2,1-3H3,(H,31,32)/t21-/m0/s1
InChIKeyHLMGXNKLKJQZHH-NRFANRHFSA-N
XLogP2.05
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 58857998
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
CID 124852461
4-(1-benzoyloxycarbonylpiperidin-4-yl)-2-tert-butyl-3-oxopiperazine-1-carboxylic acid;2-benzyl-4-(4-methyl-2-oxopiperazin-1-yl)piperidine-1-carboxylic acid
CID 87844873
[3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 68647575
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
1-[(1R,2R)-2-(benzylamino)cyclohexyl]-3-(3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl)thiourea
CID 87590690
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 53098629
[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride
CID 174209807
1-ethyl-3-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 46335586
4-methyl-1-(4-methylcyclohexyl)piperazin-2-one
CID 58893252
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid (CID 68646784) is [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid is CN1CCN(C2CCN(C(=O)[C@H](NC(=O)O)C(C)(C)CCc3ccccc3)CC2)C(=O)C1.
What is the InChIKey of [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The InChIKey is HLMGXNKLKJQZHH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-24(2,12-9-18-7-5-4-6-8-18)21(25-23(31)32)22(30)27-13-10-19(11-14-27)28-16-15-26(3)17-20(28)29/h4-8,19,21,25H,9-17H2,1-3H3,(H,31,32)/t21-/m0/s1.
What are the key properties of [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid?
[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid has a molecular weight of 444.58 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 68646784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).