N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C18H22N4O3 — CID 86986916

IUPACN-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-16-4-3-14(13-17(16)25-2)20-18(23)22-11-9-21(10-12-22)15-5-7-19-8-6-15/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyRTOLNNQPMQBSMO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.45
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86986916) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86986916
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-16-4-3-14(13-17(16)25-2)20-18(23)22-11-9-21(10-12-22)15-5-7-19-8-6-15/h3-8,13H,9-12H2,1-2H3,(H,20,23)
InChIKeyRTOLNNQPMQBSMO-UHFFFAOYSA-N
XLogP2.45
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113114068
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(3,4-dimethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780215
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-(3,4-dimethoxyphenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 121032039

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86986916) is N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is RTOLNNQPMQBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-16-4-3-14(13-17(16)25-2)20-18(23)22-11-9-21(10-12-22)15-5-7-19-8-6-15/h3-8,13H,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86986916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).