N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

C29H32F2N4O3 — CID 158915944

IUPACN-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCC(F)(F)CN1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1
InChIInChI=1S/C29H32F2N4O3/c1-29(30,31)19-35-15-11-25(12-16-35)33-28(38)24-4-2-3-23(17-24)26(18-36)34-27(37)22-7-5-20(6-8-22)21-9-13-32-14-10-21/h2-10,13-14,17,25-26,36H,11-12,15-16,18-19H2,1H3,(H,33,38)(H,34,37)/t26-/m1/s1
InChIKeyLTJOJTCBWFKJBS-AREMUKBSSA-N
MW522.60 g/mol
LogP4.06
Rot. Bonds9

About N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide

N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (PubChem CID 158915944) has the molecular formula C29H32F2N4O3 and a molecular weight of 522.60 g/mol. Its IUPAC name is N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
PubChem CID158915944
Molecular FormulaC29H32F2N4O3
Molecular Weight522.60 g/mol
Exact Mass522.24
IUPAC NameN-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
SMILESCC(F)(F)CN1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1
InChIInChI=1S/C29H32F2N4O3/c1-29(30,31)19-35-15-11-25(12-16-35)33-28(38)24-4-2-3-23(17-24)26(18-36)34-27(37)22-7-5-20(6-8-22)21-9-13-32-14-10-21/h2-10,13-14,17,25-26,36H,11-12,15-16,18-19H2,1H3,(H,33,38)(H,34,37)/t26-/m1/s1
InChIKeyLTJOJTCBWFKJBS-AREMUKBSSA-N
XLogP4.06
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide (CID 158915944) is N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is CC(F)(F)CN1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.
What is the InChIKey of N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
The InChIKey is LTJOJTCBWFKJBS-AREMUKBSSA-N. The full InChI is InChI=1S/C29H32F2N4O3/c1-29(30,31)19-35-15-11-25(12-16-35)33-28(38)24-4-2-3-23(17-24)26(18-36)34-27(37)22-7-5-20(6-8-22)21-9-13-32-14-10-21/h2-10,13-14,17,25-26,36H,11-12,15-16,18-19H2,1H3,(H,33,38)(H,34,37)/t26-/m1/s1.
What are the key properties of N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide?
N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide has a molecular weight of 522.60 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 158915944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).