2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide

C24H31N3O3 — CID 45182245

IUPAC2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCC(NC4CCOC4)CC3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-29-23-8-2-18(3-9-23)16-24(28)26-19-4-6-22(7-5-19)27-13-10-20(11-14-27)25-21-12-15-30-17-21/h2-9,20-21,25H,10-17H2,1H3,(H,26,28)
InChIKeyLLESXLFXNOKPFI-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.22
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide (PubChem CID 45182245) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide
PubChem CID45182245
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCC(NC4CCOC4)CC3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-29-23-8-2-18(3-9-23)16-24(28)26-19-4-6-22(7-5-19)27-13-10-20(11-14-27)25-21-12-15-30-17-21/h2-9,20-21,25H,10-17H2,1H3,(H,26,28)
InChIKeyLLESXLFXNOKPFI-UHFFFAOYSA-N
XLogP3.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 42167607
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 32723022
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
3-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55500007
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612773
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide (CID 45182245) is 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCC(NC4CCOC4)CC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide?
The InChIKey is LLESXLFXNOKPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-23-8-2-18(3-9-23)16-24(28)26-19-4-6-22(7-5-19)27-13-10-20(11-14-27)25-21-12-15-30-17-21/h2-9,20-21,25H,10-17H2,1H3,(H,26,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 45182245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).