N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide

C12H16FN3O — CID 851986

IUPACN-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyMDBPFVSVLGYVCQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.61
Rot. Bonds1

About N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide

N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 851986) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
PubChem CID851986
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyMDBPFVSVLGYVCQ-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide (CID 851986) is N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is MDBPFVSVLGYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17).
What are the key properties of N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide?
N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 851986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).