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

C19H31N3O3 — CID 113109976

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NCCC(C)C)CC2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-15(2)7-8-20-19(23)22-11-9-21(10-12-22)14-16-5-6-17(24-3)18(13-16)25-4/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,23)
InChIKeyNFVMOUZMGOEQJB-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.58
Rot. Bonds7

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

4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 113109976) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID113109976
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NCCC(C)C)CC2)cc1OC
InChIInChI=1S/C19H31N3O3/c1-15(2)7-8-20-19(23)22-11-9-21(10-12-22)14-16-5-6-17(24-3)18(13-16)25-4/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,23)
InChIKeyNFVMOUZMGOEQJB-UHFFFAOYSA-N
XLogP2.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8721119
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113104320
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523
N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
CID 8871922
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8721129
tert-butyl N-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 9474963
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108891587

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide (CID 113109976) is 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)NCCC(C)C)CC2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is NFVMOUZMGOEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)7-8-20-19(23)22-11-9-21(10-12-22)14-16-5-6-17(24-3)18(13-16)25-4/h5-6,13,15H,7-12,14H2,1-4H3,(H,20,23).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide?
4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 113109976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).