N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide

C13H18ClN3O2 — CID 4594798

IUPACN-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H18ClN3O2/c1-16-5-7-17(8-6-16)13(18)15-11-9-10(14)3-4-12(11)19-2/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyNDMZOVRFEOHISK-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.13
Rot. Bonds2

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

N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 4594798) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID4594798
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H18ClN3O2/c1-16-5-7-17(8-6-16)13(18)15-11-9-10(14)3-4-12(11)19-2/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKeyNDMZOVRFEOHISK-UHFFFAOYSA-N
XLogP2.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide (CID 4594798) is N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(C)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is NDMZOVRFEOHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-16-5-7-17(8-6-16)13(18)15-11-9-10(14)3-4-12(11)19-2/h3-4,9H,5-8H2,1-2H3,(H,15,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 4594798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).