N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide

C28H32ClN3O2 — CID 42167607

IUPACN-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCC(NCCc4ccccc4Cl)CC3)cc2)cc1
InChIInChI=1S/C28H32ClN3O2/c1-34-26-12-6-21(7-13-26)20-28(33)31-24-8-10-25(11-9-24)32-18-15-23(16-19-32)30-17-14-22-4-2-3-5-27(22)29/h2-13,23,30H,14-20H2,1H3,(H,31,33)
InChIKeyLYNRTSYPMQOGCS-UHFFFAOYSA-N
MW478.04 g/mol
LogP5.33
Rot. Bonds9

About N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 42167607) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID42167607
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC NameN-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCC(NCCc4ccccc4Cl)CC3)cc2)cc1
InChIInChI=1S/C28H32ClN3O2/c1-34-26-12-6-21(7-13-26)20-28(33)31-24-8-10-25(11-9-24)32-18-15-23(16-19-32)30-17-14-22-4-2-3-5-27(22)29/h2-13,23,30H,14-20H2,1H3,(H,31,33)
InChIKeyLYNRTSYPMQOGCS-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide
CID 45182245
N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 58258441
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
(2,6-dichloro-3-methylphenyl) 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 89219554
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
N-[4-[4-[2-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 44548711
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)piperidin-4-amine
CID 154795447
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 17111924
N-[4-[4-[2-(3-fluorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 42276922
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 42167607) is N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCC(NCCc4ccccc4Cl)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is LYNRTSYPMQOGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2/c1-34-26-12-6-21(7-13-26)20-28(33)31-24-8-10-25(11-9-24)32-18-15-23(16-19-32)30-17-14-22-4-2-3-5-27(22)29/h2-13,23,30H,14-20H2,1H3,(H,31,33).
What are the key properties of N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 478.04 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42167607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).