4-methyl-N-phenylpiperazine-1-carboxamide

C12H17N3O — CID 762797

IUPAC4-methyl-N-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)
InChIKeySXNAOFHNRSEHNL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.47
Rot. Bonds1

About 4-methyl-N-phenylpiperazine-1-carboxamide

4-methyl-N-phenylpiperazine-1-carboxamide (PubChem CID 762797) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-methyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenylpiperazine-1-carboxamide
PubChem CID762797
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-methyl-N-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)
InChIKeySXNAOFHNRSEHNL-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-phenylpiperazine-1-carboxamide (CID 762797) is 4-methyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is SXNAOFHNRSEHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16).
What are the key properties of 4-methyl-N-phenylpiperazine-1-carboxamide?
4-methyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).