N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide

C27H29ClN2O2 — CID 2960774

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29ClN2O2/c1-20-24(28)13-8-14-25(20)29-26(31)19-30-17-15-23(16-18-30)27(32,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,23,32H,15-19H2,1H3,(H,29,31)
InChIKeyPNTVSUDFVUTGCM-UHFFFAOYSA-N
MW448.99 g/mol
LogP5.24
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide (PubChem CID 2960774) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
PubChem CID2960774
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29ClN2O2/c1-20-24(28)13-8-14-25(20)29-26(31)19-30-17-15-23(16-18-30)27(32,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,23,32H,15-19H2,1H3,(H,29,31)
InChIKeyPNTVSUDFVUTGCM-UHFFFAOYSA-N
XLogP5.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide (CID 2960774) is N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
The InChIKey is PNTVSUDFVUTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-20-24(28)13-8-14-25(20)29-26(31)19-30-17-15-23(16-18-30)27(32,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,23,32H,15-19H2,1H3,(H,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide has a molecular weight of 448.99 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 2960774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).