3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

C27H27ClN2O4 — CID 67168457

IUPAC3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C27H27ClN2O4/c28-22-9-11-23(12-10-22)34-24-13-15-30(16-14-24)27(33)21-8-4-7-20(17-21)26(32)29-18-25(31)19-5-2-1-3-6-19/h1-12,17,24-25,31H,13-16,18H2,(H,29,32)/t25-/m1/s1
InChIKeyQQAFFQZMRZXVND-RUZDIDTESA-N
MW478.98 g/mol
LogP4.49
Rot. Bonds7

About 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 67168457) has the molecular formula C27H27ClN2O4 and a molecular weight of 478.98 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID67168457
Molecular FormulaC27H27ClN2O4
Molecular Weight478.98 g/mol
Exact Mass478.17
IUPAC Name3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C27H27ClN2O4/c28-22-9-11-23(12-10-22)34-24-13-15-30(16-14-24)27(33)21-8-4-7-20(17-21)26(32)29-18-25(31)19-5-2-1-3-6-19/h1-12,17,24-25,31H,13-16,18H2,(H,29,32)/t25-/m1/s1
InChIKeyQQAFFQZMRZXVND-RUZDIDTESA-N
XLogP4.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
CID 67169214
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (CID 67168457) is 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is O=C(NC[C@@H](O)c1ccccc1)c1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is QQAFFQZMRZXVND-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27ClN2O4/c28-22-9-11-23(12-10-22)34-24-13-15-30(16-14-24)27(33)21-8-4-7-20(17-21)26(32)29-18-25(31)19-5-2-1-3-6-19/h1-12,17,24-25,31H,13-16,18H2,(H,29,32)/t25-/m1/s1.
What are the key properties of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 478.98 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 67168457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).