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

C19H22FN3O2 — CID 17184554

IUPACN-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)14-22-10-12-23(13-11-22)19(24)21-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeySKWHUHHDDULCOK-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.18
Rot. Bonds4

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

N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 17184554) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID17184554
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CN2CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)14-22-10-12-23(13-11-22)19(24)21-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeySKWHUHHDDULCOK-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108148
N-(2,3-dichlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184568
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
N-(2-ethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86987229
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
methyl 2-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107902
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
4-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 24612351
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 17184554) is N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CN2CCN(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SKWHUHHDDULCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)14-22-10-12-23(13-11-22)19(24)21-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17184554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).