N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide

C22H29N3O3 — CID 38198135

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(CCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-9-8-19(16-21(20)28-2)17-23-22(26)25-14-12-24(13-15-25)11-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyATNZHCPDYYKBQT-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.77
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 38198135) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID38198135
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(CCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-9-8-19(16-21(20)28-2)17-23-22(26)25-14-12-24(13-15-25)11-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyATNZHCPDYYKBQT-UHFFFAOYSA-N
XLogP2.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463976
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (CID 38198135) is N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(CCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is ATNZHCPDYYKBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-9-8-19(16-21(20)28-2)17-23-22(26)25-14-12-24(13-15-25)11-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 38198135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).