N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide

C14H20ClN3O3 — CID 108988465

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C)CC2)c(OC)cc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-17-4-6-18(7-5-17)14(19)16-11-9-12(20-2)10(15)8-13(11)21-3/h8-9H,4-7H2,1-3H3,(H,16,19)
InChIKeyOETVMRUULZCIST-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.14
Rot. Bonds3

About N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 108988465) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID108988465
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C)CC2)c(OC)cc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-17-4-6-18(7-5-17)14(19)16-11-9-12(20-2)10(15)8-13(11)21-3/h8-9H,4-7H2,1-3H3,(H,16,19)
InChIKeyOETVMRUULZCIST-UHFFFAOYSA-N
XLogP2.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699057
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105519
[6-(4-chloro-2,5-dimethoxyanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345235
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944484
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958901
N-(5-chloro-2,4-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375484
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(4-chloro-2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116283

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide (CID 108988465) is N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(C)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is OETVMRUULZCIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-17-4-6-18(7-5-17)14(19)16-11-9-12(20-2)10(15)8-13(11)21-3/h8-9H,4-7H2,1-3H3,(H,16,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108988465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).