N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide

C22H29N3O2 — CID 134806959

IUPACN-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(Nc2ccccc2)c1
InChIInChI=1S/C22H29N3O2/c1-17(26)24-22(2)9-11-25(12-10-22)16-18-13-20(15-21(14-18)27-3)23-19-7-5-4-6-8-19/h4-8,13-15,23H,9-12,16H2,1-3H3,(H,24,26)
InChIKeyDRBXMIRVBXSSGC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.93
Rot. Bonds6

About N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134806959) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134806959
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(Nc2ccccc2)c1
InChIInChI=1S/C22H29N3O2/c1-17(26)24-22(2)9-11-25(12-10-22)16-18-13-20(15-21(14-18)27-3)23-19-7-5-4-6-8-19/h4-8,13-15,23H,9-12,16H2,1-3H3,(H,24,26)
InChIKeyDRBXMIRVBXSSGC-UHFFFAOYSA-N
XLogP3.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide (CID 134806959) is N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide is COc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(Nc2ccccc2)c1.
What is the InChIKey of N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is DRBXMIRVBXSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(26)24-22(2)9-11-25(12-10-22)16-18-13-20(15-21(14-18)27-3)23-19-7-5-4-6-8-19/h4-8,13-15,23H,9-12,16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134806959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).