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

C23H31N3O2 — CID 134807217

IUPACN-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(NCc2ccccc2)c1
InChIInChI=1S/C23H31N3O2/c1-18(27)25-23(2)9-11-26(12-10-23)17-20-13-21(15-22(14-20)28-3)24-16-19-7-5-4-6-8-19/h4-8,13-15,24H,9-12,16-17H2,1-3H3,(H,25,27)
InChIKeyDMBHPXJKKSDHIQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.80
Rot. Bonds7

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

N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134807217) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134807217
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(NCc2ccccc2)c1
InChIInChI=1S/C23H31N3O2/c1-18(27)25-23(2)9-11-26(12-10-23)17-20-13-21(15-22(14-20)28-3)24-16-19-7-5-4-6-8-19/h4-8,13-15,24H,9-12,16-17H2,1-3H3,(H,25,27)
InChIKeyDMBHPXJKKSDHIQ-UHFFFAOYSA-N
XLogP3.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide (CID 134807217) is N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide is COc1cc(CN2CCC(C)(NC(C)=O)CC2)cc(NCc2ccccc2)c1.
What is the InChIKey of N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is DMBHPXJKKSDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(27)25-23(2)9-11-26(12-10-23)17-20-13-21(15-22(14-20)28-3)24-16-19-7-5-4-6-8-19/h4-8,13-15,24H,9-12,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134807217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).