N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide

C12H16ClN3O — CID 55104624

IUPACN-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CNCCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H16ClN3O/c1-9-8-14-6-7-16(9)12(17)15-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,17)
InChIKeyDVWIAMDBVZKWHU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.17
Rot. Bonds1

About N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide

N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide (PubChem CID 55104624) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
PubChem CID55104624
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
SMILESCC1CNCCN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H16ClN3O/c1-9-8-14-6-7-16(9)12(17)15-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,17)
InChIKeyDVWIAMDBVZKWHU-UHFFFAOYSA-N
XLogP2.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide (CID 55104624) is N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide is CC1CNCCN1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is DVWIAMDBVZKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-9-8-14-6-7-16(9)12(17)15-11-5-3-2-4-10(11)13/h2-5,9,14H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide?
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 55104624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).