ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate

C22H26N2O3 — CID 2977625

IUPACethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-27-22(26)24-16-14-23(15-17-24)21(25)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKeyDHYSUPDPNHFETI-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.39
Rot. Bonds5

About ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate

ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate (PubChem CID 2977625) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate
PubChem CID2977625
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-27-22(26)24-16-14-23(15-17-24)21(25)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3
InChIKeyDHYSUPDPNHFETI-UHFFFAOYSA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
N,N'-dibenzoylpiperazine
CID 80185
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
Bunaftine
CID 36131
N,N,N',N'-Tetraethylphthalamide
CID 66526
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate (CID 2977625) is ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is DHYSUPDPNHFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-22(26)24-16-14-23(15-17-24)21(25)20-11-7-6-10-19(20)13-12-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3.
What are the key properties of ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-phenylethyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 2977625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).