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

C27H29ClN2O2 — CID 165094374

IUPACN-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide
SMILESCc1cc(CN2CCC(NC(=O)COc3ccc(-c4ccccc4)cc3)CC2)ccc1Cl
InChIInChI=1S/C27H29ClN2O2/c1-20-17-21(7-12-26(20)28)18-30-15-13-24(14-16-30)29-27(31)19-32-25-10-8-23(9-11-25)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3,(H,29,31)
InChIKeyOTLXVVILTRYOAG-UHFFFAOYSA-N
MW448.99 g/mol
LogP5.48
Rot. Bonds7

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

N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide (PubChem CID 165094374) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide
PubChem CID165094374
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC NameN-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide
SMILESCc1cc(CN2CCC(NC(=O)COc3ccc(-c4ccccc4)cc3)CC2)ccc1Cl
InChIInChI=1S/C27H29ClN2O2/c1-20-17-21(7-12-26(20)28)18-30-15-13-24(14-16-30)29-27(31)19-32-25-10-8-23(9-11-25)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3,(H,29,31)
InChIKeyOTLXVVILTRYOAG-UHFFFAOYSA-N
XLogP5.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 75370235
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide (CID 165094374) is N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide is Cc1cc(CN2CCC(NC(=O)COc3ccc(-c4ccccc4)cc3)CC2)ccc1Cl.
What is the InChIKey of N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide?
The InChIKey is OTLXVVILTRYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2/c1-20-17-21(7-12-26(20)28)18-30-15-13-24(14-16-30)29-27(31)19-32-25-10-8-23(9-11-25)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3,(H,29,31).
What are the key properties of N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide?
N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide has a molecular weight of 448.99 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 165094374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).