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

C19H21F2N3O — CID 27534923

IUPACN,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H21F2N3O/c20-17-7-3-1-5-15(17)13-22-19(25)24-11-9-23(10-12-24)14-16-6-2-4-8-18(16)21/h1-8H,9-14H2,(H,22,25)
InChIKeyQGUAWSBFJDBXIY-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.99
Rot. Bonds4

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

N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 27534923) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID27534923
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H21F2N3O/c20-17-7-3-1-5-15(17)13-22-19(25)24-11-9-23(10-12-24)14-16-6-2-4-8-18(16)21/h1-8H,9-14H2,(H,22,25)
InChIKeyQGUAWSBFJDBXIY-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113105789
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
CID 51104070
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381

Frequently Asked Questions

What is the IUPAC name of N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 27534923) is N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is QGUAWSBFJDBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-17-7-3-1-5-15(17)13-22-19(25)24-11-9-23(10-12-24)14-16-6-2-4-8-18(16)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 27534923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).