4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

C25H27N3O3 — CID 24825192

IUPAC4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O3/c1-30-24-10-6-5-9-23(24)27-15-17-28(18-16-27)25(29)26-21-11-13-22(14-12-21)31-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyXDSMDWHCWKVSQZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.63
Rot. Bonds6

About 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (PubChem CID 24825192) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
PubChem CID24825192
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O3/c1-30-24-10-6-5-9-23(24)27-15-17-28(18-16-27)25(29)26-21-11-13-22(14-12-21)31-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyXDSMDWHCWKVSQZ-UHFFFAOYSA-N
XLogP4.63
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 3756709
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4594277
4-(5-bromopyrimidin-2-yl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 58462419
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide (CID 24825192) is 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is XDSMDWHCWKVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-24-10-6-5-9-23(24)27-15-17-28(18-16-27)25(29)26-21-11-13-22(14-12-21)31-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,26,29).
What are the key properties of 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 24825192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).