1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide

C32H32FN5O3 — CID 66710722

IUPAC1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H32FN5O3/c33-28-8-5-24(6-9-28)30(39)25-13-17-38(18-14-25)32(41)27-7-10-29(35-20-27)36-31(40)26-11-15-37(16-12-26)21-23-3-1-22(19-34)2-4-23/h1-10,20,25-26H,11-18,21H2,(H,35,36,40)
InChIKeyWOIPUWNMUQRRTL-UHFFFAOYSA-N
MW553.64 g/mol
LogP4.68
Rot. Bonds7

About 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide

1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 66710722) has the molecular formula C32H32FN5O3 and a molecular weight of 553.64 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID66710722
Molecular FormulaC32H32FN5O3
Molecular Weight553.64 g/mol
Exact Mass553.25
IUPAC Name1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H32FN5O3/c33-28-8-5-24(6-9-28)30(39)25-13-17-38(18-14-25)32(41)27-7-10-29(35-20-27)36-31(40)26-11-15-37(16-12-26)21-23-3-1-22(19-34)2-4-23/h1-10,20,25-26H,11-18,21H2,(H,35,36,40)
InChIKeyWOIPUWNMUQRRTL-UHFFFAOYSA-N
XLogP4.68
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide (CID 66710722) is 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide is N#Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is WOIPUWNMUQRRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O3/c33-28-8-5-24(6-9-28)30(39)25-13-17-38(18-14-25)32(41)27-7-10-29(35-20-27)36-31(40)26-11-15-37(16-12-26)21-23-3-1-22(19-34)2-4-23/h1-10,20,25-26H,11-18,21H2,(H,35,36,40).
What are the key properties of 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 553.64 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-N-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 66710722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).