N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide

C16H25N3O3 — CID 17185486

IUPACN-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-12(2)18-7-9-19(10-8-18)16(20)17-14-11-13(21-3)5-6-15(14)22-4/h5-6,11-12H,7-10H2,1-4H3,(H,17,20)
InChIKeyJYJFMAPGPHPJRA-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.26
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide

N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 17185486) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID17185486
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-12(2)18-7-9-19(10-8-18)16(20)17-14-11-13(21-3)5-6-15(14)22-4/h5-6,11-12H,7-10H2,1-4H3,(H,17,20)
InChIKeyJYJFMAPGPHPJRA-UHFFFAOYSA-N
XLogP2.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105238
N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 72912569
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
N-(2,5-dimethoxyphenyl)-4-(3,5-dimethylphenyl)-3-oxopiperazine-1-carboxamide
CID 118794821
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide (CID 17185486) is N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CCN(C(C)C)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JYJFMAPGPHPJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)18-7-9-19(10-8-18)16(20)17-14-11-13(21-3)5-6-15(14)22-4/h5-6,11-12H,7-10H2,1-4H3,(H,17,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide?
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17185486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).