N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C19H21ClFN3O2 — CID 4681327

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-7-2-14(12-17(18)20)13-22-19(25)24-10-8-23(9-11-24)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyALRFFYAXRVVLJD-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.52
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 4681327) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID4681327
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C19H21ClFN3O2/c1-26-18-7-2-14(12-17(18)20)13-22-19(25)24-10-8-23(9-11-24)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyALRFFYAXRVVLJD-UHFFFAOYSA-N
XLogP3.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 4681327) is N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is ALRFFYAXRVVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-26-18-7-2-14(12-17(18)20)13-22-19(25)24-10-8-23(9-11-24)16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4681327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).