N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

C20H24FN3O2 — CID 27534875

IUPACN-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NCc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O2/c1-26-18-8-6-16(7-9-18)15-23-10-12-24(13-11-23)20(25)22-14-17-4-2-3-5-19(17)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyCOKYXNUXKJPQLS-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.86
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 27534875) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID27534875
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)NCc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FN3O2/c1-26-18-8-6-16(7-9-18)15-23-10-12-24(13-11-23)20(25)22-14-17-4-2-3-5-19(17)21/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyCOKYXNUXKJPQLS-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113074066
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 27534875) is N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)NCc3ccccc3F)CC2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is COKYXNUXKJPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-26-18-8-6-16(7-9-18)15-23-10-12-24(13-11-23)20(25)22-14-17-4-2-3-5-19(17)21/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 27534875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).