4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide

C23H25ClN2O4 — CID 171388963

IUPAC4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide
SMILESCC1(C(=O)N2CC[C@](NC(=O)c3ccc(Cl)cc3)(c3ccccc3)[C@H](O)C2)COC1
InChIInChI=1S/C23H25ClN2O4/c1-22(14-30-15-22)21(29)26-12-11-23(19(27)13-26,17-5-3-2-4-6-17)25-20(28)16-7-9-18(24)10-8-16/h2-10,19,27H,11-15H2,1H3,(H,25,28)/t19-,23+/m1/s1
InChIKeyYFRCOYDUXREZHY-XXBNENTESA-N
MW428.92 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide

4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide (PubChem CID 171388963) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide
PubChem CID171388963
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide
SMILESCC1(C(=O)N2CC[C@](NC(=O)c3ccc(Cl)cc3)(c3ccccc3)[C@H](O)C2)COC1
InChIInChI=1S/C23H25ClN2O4/c1-22(14-30-15-22)21(29)26-12-11-23(19(27)13-26,17-5-3-2-4-6-17)25-20(28)16-7-9-18(24)10-8-16/h2-10,19,27H,11-15H2,1H3,(H,25,28)/t19-,23+/m1/s1
InChIKeyYFRCOYDUXREZHY-XXBNENTESA-N
XLogP2.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]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 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide (CID 171388963) is 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide is CC1(C(=O)N2CC[C@](NC(=O)c3ccc(Cl)cc3)(c3ccccc3)[C@H](O)C2)COC1.
What is the InChIKey of 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide?
The InChIKey is YFRCOYDUXREZHY-XXBNENTESA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-22(14-30-15-22)21(29)26-12-11-23(19(27)13-26,17-5-3-2-4-6-17)25-20(28)16-7-9-18(24)10-8-16/h2-10,19,27H,11-15H2,1H3,(H,25,28)/t19-,23+/m1/s1.
What are the key properties of 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide?
4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide has a molecular weight of 428.92 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide is sourced from PubChem (CID 171388963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).