(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide

C22H27N3O3 — CID 125159496

IUPAC(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
SMILESCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-2-19-21(26)23-14-15-25(19)22(27)24-18-12-6-7-13-20(18)28-16-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,19H,2,8,11,14-16H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyZMKFZDRUPKWHEI-LJQANCHMSA-N
MW381.48 g/mol
LogP3.44
Rot. Bonds7

About (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide

(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide (PubChem CID 125159496) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
PubChem CID125159496
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
SMILESCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-2-19-21(26)23-14-15-25(19)22(27)24-18-12-6-7-13-20(18)28-16-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,19H,2,8,11,14-16H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyZMKFZDRUPKWHEI-LJQANCHMSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97444169
(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97445979
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122760
(3S,4S)-3,4-dihydroxy-N-[2-(3-phenylpropoxy)phenyl]piperidine-1-carboxamide
CID 118761290
butyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822936
(2R)-2-ethyl-N-[(2S)-2-methoxy-2-phenylethyl]-3-oxopiperazine-1-carboxamide
CID 95759828
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915
butyl 2-[1-[2-(2-butoxyanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54827843
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
CID 45241729

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide (CID 125159496) is (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide is CC[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ZMKFZDRUPKWHEI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-19-21(26)23-14-15-25(19)22(27)24-18-12-6-7-13-20(18)28-16-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,19H,2,8,11,14-16H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide?
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 125159496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).