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

C22H29N3O4 — CID 113110019

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-4-29-19-8-6-18(7-9-19)24-11-13-25(14-12-24)22(26)23-16-17-5-10-20(27-2)21(15-17)28-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)
InChIKeyVGKNAQPWPHUCEU-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.13
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113110019) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID113110019
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-4-29-19-8-6-18(7-9-19)24-11-13-25(14-12-24)22(26)23-16-17-5-10-20(27-2)21(15-17)28-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)
InChIKeyVGKNAQPWPHUCEU-UHFFFAOYSA-N
XLogP3.13
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 22830514
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108225

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 113110019) is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is VGKNAQPWPHUCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-29-19-8-6-18(7-9-19)24-11-13-25(14-12-24)22(26)23-16-17-5-10-20(27-2)21(15-17)28-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).