4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

C19H22F2N4O — CID 119061910

IUPAC4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccncc1)N1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C19H22F2N4O/c20-17-11-16(12-18(21)13-17)14-24-7-9-25(10-8-24)19(26)23-6-3-15-1-4-22-5-2-15/h1-2,4-5,11-13H,3,6-10,14H2,(H,23,26)
InChIKeyIVTKBPOMIPXZRS-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.43
Rot. Bonds5

About 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 119061910) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
PubChem CID119061910
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccncc1)N1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C19H22F2N4O/c20-17-11-16(12-18(21)13-17)14-24-7-9-25(10-8-24)19(26)23-6-3-15-1-4-22-5-2-15/h1-2,4-5,11-13H,3,6-10,14H2,(H,23,26)
InChIKeyIVTKBPOMIPXZRS-UHFFFAOYSA-N
XLogP2.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 119065539
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 35998814
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
4-(adamantane-1-carbonyl)-N-[2-(3,5-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 86874987
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide (CID 119061910) is 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide is O=C(NCCc1ccncc1)N1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is IVTKBPOMIPXZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-17-11-16(12-18(21)13-17)14-24-7-9-25(10-8-24)19(26)23-6-3-15-1-4-22-5-2-15/h1-2,4-5,11-13H,3,6-10,14H2,(H,23,26).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide?
4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 119061910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).