1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide

C24H31N3O3 — CID 41405249

IUPAC1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cccc(OCCN(C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-7-6-10-22(17-19)30-16-15-26(2)18-23(28)27-13-11-20(12-14-27)24(29)25-21-8-4-3-5-9-21/h3-10,17,20H,11-16,18H2,1-2H3,(H,25,29)
InChIKeyYNEHELRMSDUVND-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.18
Rot. Bonds8

About 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41405249) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41405249
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cccc(OCCN(C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-7-6-10-22(17-19)30-16-15-26(2)18-23(28)27-13-11-20(12-14-27)24(29)25-21-8-4-3-5-9-21/h3-10,17,20H,11-16,18H2,1-2H3,(H,25,29)
InChIKeyYNEHELRMSDUVND-UHFFFAOYSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24565676
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55886034

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide (CID 41405249) is 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide is Cc1cccc(OCCN(C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is YNEHELRMSDUVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19-7-6-10-22(17-19)30-16-15-26(2)18-23(28)27-13-11-20(12-14-27)24(29)25-21-8-4-3-5-9-21/h3-10,17,20H,11-16,18H2,1-2H3,(H,25,29).
What are the key properties of 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41405249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).