N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

C19H21F2N3O2 — CID 113108051

IUPACN-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O2/c1-26-18-5-3-2-4-14(18)13-23-8-10-24(11-9-23)19(25)22-15-6-7-16(20)17(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyIAMMPAPCWOLTEZ-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.32
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113108051) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID113108051
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H21F2N3O2/c1-26-18-5-3-2-4-14(18)13-23-8-10-24(11-9-23)19(25)22-15-6-7-16(20)17(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyIAMMPAPCWOLTEZ-UHFFFAOYSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904
N-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184642
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 17148906
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 17148903
N-(3-fluoro-4-methylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 17087632
N-(3,4-difluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997026
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002
N-(4-chlorophenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 31773245
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
4-[(3-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17377810
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 113108051) is N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccccc1CN1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is IAMMPAPCWOLTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-26-18-5-3-2-4-14(18)13-23-8-10-24(11-9-23)19(25)22-15-6-7-16(20)17(21)12-15/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113108051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).