4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide

C20H21FN4O2 — CID 51116707

IUPAC4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F
InChIInChI=1S/C20H21FN4O2/c1-27-19-7-6-17(12-18(19)21)23-20(26)25-10-8-24(9-11-25)14-16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3,(H,23,26)
InChIKeyYRPPBSSVFKNDIW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.06
Rot. Bonds4

About 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide

4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 51116707) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID51116707
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F
InChIInChI=1S/C20H21FN4O2/c1-27-19-7-6-17(12-18(19)21)23-20(26)25-10-8-24(9-11-25)14-16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3,(H,23,26)
InChIKeyYRPPBSSVFKNDIW-UHFFFAOYSA-N
XLogP3.06
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
4-[[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 17490595
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17377810
4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(3-methyl-4-nitrophenyl)piperazine-1-carboxamide
CID 112839855
N-(3-cyanophenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107615
4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 78875012
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
butyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 55741236
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide (CID 51116707) is 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is YRPPBSSVFKNDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-19-7-6-17(12-18(19)21)23-20(26)25-10-8-24(9-11-25)14-16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3,(H,23,26).
What are the key properties of 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide?
4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51116707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).