N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide

C22H29N3O3 — CID 113216629

IUPACN-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-22(2,17-10-11-19(27-3)20(16-17)28-4)23-21(26)25-14-12-24(13-15-25)18-8-6-5-7-9-18/h5-11,16H,12-15H2,1-4H3,(H,23,26)
InChIKeyXIVQPDIMLSYZAJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 113216629) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID113216629
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-22(2,17-10-11-19(27-3)20(16-17)28-4)23-21(26)25-14-12-24(13-15-25)18-8-6-5-7-9-18/h5-11,16H,12-15H2,1-4H3,(H,23,26)
InChIKeyXIVQPDIMLSYZAJ-UHFFFAOYSA-N
XLogP3.47
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 113216584
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
N-[1-(3,4-dimethoxyphenyl)pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799534
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799531
N-tert-butyl-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113110457
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 113216629) is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide is COc1ccc(C(C)(C)NC(=O)N2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is XIVQPDIMLSYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,17-10-11-19(27-3)20(16-17)28-4)23-21(26)25-14-12-24(13-15-25)18-8-6-5-7-9-18/h5-11,16H,12-15H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 113216629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).