N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide

C22H27N3O3 — CID 87000159

IUPACN-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-28-17-21(26)24-12-14-25(15-13-24)22(27)23-20(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,23,27)
InChIKeyOGYPHSDSCDOHLF-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.47
Rot. Bonds6

About N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide

N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide (PubChem CID 87000159) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
PubChem CID87000159
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-28-17-21(26)24-12-14-25(15-13-24)22(27)23-20(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,23,27)
InChIKeyOGYPHSDSCDOHLF-UHFFFAOYSA-N
XLogP2.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
N-(1,2-diphenylethyl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 119061556
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 126429089
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
CID 21419374
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide (CID 87000159) is N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide is COCC(=O)N1CCN(C(=O)NC(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide?
The InChIKey is OGYPHSDSCDOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-17-21(26)24-12-14-25(15-13-24)22(27)23-20(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,23,27).
What are the key properties of N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide?
N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 87000159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).