4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile

C33H35FN4O3 — CID 58073402

IUPAC4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H35FN4O3/c34-29-8-5-26(6-9-29)32(40)27-13-17-38(18-14-27)33(41)28-7-10-30(36-21-28)31(39)19-23-11-15-37(16-12-23)22-25-3-1-24(20-35)2-4-25/h1-10,21,23,27,32,40H,11-19,22H2
InChIKeyDSTMFKFPWYRDGH-UHFFFAOYSA-N
MW554.67 g/mol
LogP5.16
Rot. Bonds8

About 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile

4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 58073402) has the molecular formula C33H35FN4O3 and a molecular weight of 554.67 g/mol. Its IUPAC name is 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
PubChem CID58073402
Molecular FormulaC33H35FN4O3
Molecular Weight554.67 g/mol
Exact Mass554.27
IUPAC Name4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H35FN4O3/c34-29-8-5-26(6-9-29)32(40)27-13-17-38(18-14-27)33(41)28-7-10-30(36-21-28)31(39)19-23-11-15-37(16-12-23)22-25-3-1-24(20-35)2-4-25/h1-10,21,23,27,32,40H,11-19,22H2
InChIKeyDSTMFKFPWYRDGH-UHFFFAOYSA-N
XLogP5.16
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710298
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710317
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-((4-fluorophenyl)(hydroxy) methyl)piperidine-1-carbonyl)picolinamide
CID 66710385
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710841
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(3,4-difluorobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710359
N-((trans)-1-(4-cyanobenzyl)-3-fluoropiperidin-4-yl)-5-(4-(4-(methylsulfonyl)benzoyl)piperidine-1-carbonyl)picolinamide
CID 146676205
6-(1-Acryloylpiperidin-4-yl)-2-(4-(hydroxy(phenyl)methyl)phenyl)nicotinamide
CID 117977269
[2-(5-{[4-(2-Phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-yl)phenyl]methanol
CID 56865166
[4-(5-{[4-(2-Phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-yl)phenyl]methanol
CID 56918366
4-[4-[2-[6-[4-[(4-Fluorophenyl)methyl]piperazine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]benzonitrile
CID 58073134
4-[[(3R)-3-[2-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 58073143
4-[[4-[2-[5-[2-[(4-Fluorophenyl)methyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073150

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile (CID 58073402) is 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is DSTMFKFPWYRDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O3/c34-29-8-5-26(6-9-29)32(40)27-13-17-38(18-14-27)33(41)28-7-10-30(36-21-28)31(39)19-23-11-15-37(16-12-23)22-25-3-1-24(20-35)2-4-25/h1-10,21,23,27,32,40H,11-19,22H2.
What are the key properties of 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile?
4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 554.67 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 58073402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).