N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide

C21H26ClN3O4 — CID 17468033

IUPACN-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(OC)c1OC
InChIInChI=1S/C21H26ClN3O4/c1-27-18-8-7-15(19(28-2)20(18)29-3)14-24-9-11-25(12-10-24)21(26)23-17-6-4-5-16(22)13-17/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)
InChIKeyOYWGIFTYIUFNDU-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.72
Rot. Bonds6

About N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 17468033) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID17468033
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(OC)c1OC
InChIInChI=1S/C21H26ClN3O4/c1-27-18-8-7-15(19(28-2)20(18)29-3)14-24-9-11-25(12-10-24)21(26)23-17-6-4-5-16(22)13-17/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)
InChIKeyOYWGIFTYIUFNDU-UHFFFAOYSA-N
XLogP3.72
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 17148903
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
(5-chloro-2-hydroxyphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31606232
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
(2R)-N-(3-methylphenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9127732
N-(3-chlorophenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 19293600
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide (CID 17468033) is N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is OYWGIFTYIUFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-27-18-8-7-15(19(28-2)20(18)29-3)14-24-9-11-25(12-10-24)21(26)23-17-6-4-5-16(22)13-17/h4-8,13H,9-12,14H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17468033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).