2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide

C24H31N3O3 — CID 70572134

IUPAC2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)N3CCC(CCO)CC3)cc2)c1)C(=O)CN
InChIInChI=1S/C24H31N3O3/c1-26(23(29)16-25)17-19-3-2-4-22(15-19)20-5-7-21(8-6-20)24(30)27-12-9-18(10-13-27)11-14-28/h2-8,15,18,28H,9-14,16-17,25H2,1H3
InChIKeyOEPRBPQRECPQHE-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.51
Rot. Bonds7

About 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide

2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide (PubChem CID 70572134) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
PubChem CID70572134
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)N3CCC(CCO)CC3)cc2)c1)C(=O)CN
InChIInChI=1S/C24H31N3O3/c1-26(23(29)16-25)17-19-3-2-4-22(15-19)20-5-7-21(8-6-20)24(30)27-12-9-18(10-13-27)11-14-28/h2-8,15,18,28H,9-14,16-17,25H2,1H3
InChIKeyOEPRBPQRECPQHE-UHFFFAOYSA-N
XLogP2.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[3-[4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572111
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
2-amino-N-methyl-N-[[3-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572228
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[2-[4-(2-methoxyethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]-N-methylacetamide
CID 70572185
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070
2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571684
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572434
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide (CID 70572134) is 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide is CN(Cc1cccc(-c2ccc(C(=O)N3CCC(CCO)CC3)cc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is OEPRBPQRECPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26(23(29)16-25)17-19-3-2-4-22(15-19)20-5-7-21(8-6-20)24(30)27-12-9-18(10-13-27)11-14-28/h2-8,15,18,28H,9-14,16-17,25H2,1H3.
What are the key properties of 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 409.53 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70572134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).