(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

C21H27N3O3 — CID 2211440

IUPAC(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1
InChIInChI=1S/C21H27N3O3/c1-15-5-7-17(8-6-15)24-12-11-23(14-16(24)2)21(25)22-19-13-18(26-3)9-10-20(19)27-4/h5-10,13,16H,11-12,14H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyDVYRZNLXEALZMY-MRXNPFEDSA-N
MW369.47 g/mol
LogP3.75
Rot. Bonds4

About (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 2211440) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID2211440
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1
InChIInChI=1S/C21H27N3O3/c1-15-5-7-17(8-6-15)24-12-11-23(14-16(24)2)21(25)22-19-13-18(26-3)9-10-20(19)27-4/h5-10,13,16H,11-12,14H2,1-4H3,(H,22,25)/t16-/m1/s1
InChIKeyDVYRZNLXEALZMY-MRXNPFEDSA-N
XLogP3.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 17376696
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 5005350
N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
CID 118794821
N-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 2955625
(3S)-N-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 2207452
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxamide
CID 3830556
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (CID 2211440) is (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1.
What is the InChIKey of (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DVYRZNLXEALZMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-5-7-17(8-6-15)24-12-11-23(14-16(24)2)21(25)22-19-13-18(26-3)9-10-20(19)27-4/h5-10,13,16H,11-12,14H2,1-4H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2211440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).