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

C18H29N3O3 — CID 113104320

IUPACN-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O3/c1-5-14(2)19-18(22)21-10-8-20(9-11-21)13-15-6-7-16(23-3)17(12-15)24-4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,19,22)
InChIKeyYPDFHVBSBNIAAO-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.33
Rot. Bonds6

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

N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113104320) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID113104320
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O3/c1-5-14(2)19-18(22)21-10-8-20(9-11-21)13-15-6-7-16(23-3)17(12-15)24-4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,19,22)
InChIKeyYPDFHVBSBNIAAO-UHFFFAOYSA-N
XLogP2.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113109976
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8721129
methyl (2S,3S)-2-[[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 8872122
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 55372151
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
(4-bromo-3,5-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31332615

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide (CID 113104320) is N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is YPDFHVBSBNIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-5-14(2)19-18(22)21-10-8-20(9-11-21)13-15-6-7-16(23-3)17(12-15)24-4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,19,22).
What are the key properties of N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113104320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).