N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C21H26ClN3O4 — CID 3445591

IUPACN-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc(OC)c1OC
InChIInChI=1S/C21H26ClN3O4/c1-14-5-6-15(22)11-17(14)23-21(26)25-9-7-24(8-10-25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)
InChIKeyWFAUNIXXSYSWOI-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.03
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 3445591) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID3445591
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc(OC)c1OC
InChIInChI=1S/C21H26ClN3O4/c1-14-5-6-15(22)11-17(14)23-21(26)25-9-7-24(8-10-25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)
InChIKeyWFAUNIXXSYSWOI-UHFFFAOYSA-N
XLogP4.03
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.03
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-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-tert-butyl-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113110457
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
(3,4-dimethylphenyl)-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]methanone
CID 113079974
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 23991152
2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]ethanone
CID 4670659

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 3445591) is N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc(OC)c1OC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WFAUNIXXSYSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-14-5-6-15(22)11-17(14)23-21(26)25-9-7-24(8-10-25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3445591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).