1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide

C25H31FN4O2 — CID 92616712

IUPAC1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)CC1
InChIInChI=1S/C25H31FN4O2/c26-22-4-1-18(2-5-22)15-19-3-6-23(28-16-19)20-7-11-29(12-8-20)17-24(31)30-13-9-21(10-14-30)25(27)32/h1-6,16,20-21H,7-15,17H2,(H2,27,32)
InChIKeyMJRJPJGOOPNTJY-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.71
Rot. Bonds6

About 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 92616712) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID92616712
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)CC1
InChIInChI=1S/C25H31FN4O2/c26-22-4-1-18(2-5-22)15-19-3-6-23(28-16-19)20-7-11-29(12-8-20)17-24(31)30-13-9-21(10-14-30)25(27)32/h1-6,16,20-21H,7-15,17H2,(H2,27,32)
InChIKeyMJRJPJGOOPNTJY-UHFFFAOYSA-N
XLogP2.71
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide (CID 92616712) is 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)CC1.
What is the InChIKey of 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is MJRJPJGOOPNTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c26-22-4-1-18(2-5-22)15-19-3-6-23(28-16-19)20-7-11-29(12-8-20)17-24(31)30-13-9-21(10-14-30)25(27)32/h1-6,16,20-21H,7-15,17H2,(H2,27,32).
What are the key properties of 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 92616712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).