[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone

C24H23ClFN3O — CID 56669174

IUPAC[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(NC(c2cccnc2)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C24H23ClFN3O/c25-19-8-9-21(22(26)15-19)23(18-7-4-12-27-16-18)28-20-10-13-29(14-11-20)24(30)17-5-2-1-3-6-17/h1-9,12,15-16,20,23,28H,10-11,13-14H2
InChIKeyVLHIZSUFXUYCAH-UHFFFAOYSA-N
MW423.92 g/mol
LogP4.86
Rot. Bonds5

About [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone

[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 56669174) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID56669174
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(NC(c2cccnc2)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C24H23ClFN3O/c25-19-8-9-21(22(26)15-19)23(18-7-4-12-27-16-18)28-20-10-13-29(14-11-20)24(30)17-5-2-1-3-6-17/h1-9,12,15-16,20,23,28H,10-11,13-14H2
InChIKeyVLHIZSUFXUYCAH-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone (CID 56669174) is [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(NC(c2cccnc2)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is VLHIZSUFXUYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c25-19-8-9-21(22(26)15-19)23(18-7-4-12-27-16-18)28-20-10-13-29(14-11-20)24(30)17-5-2-1-3-6-17/h1-9,12,15-16,20,23,28H,10-11,13-14H2.
What are the key properties of [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 423.92 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 56669174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).