methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate

C23H26N2O5 — CID 134801658

IUPACmethyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C23H26N2O5/c1-29-20-5-3-4-19(14-20)16-6-8-18(9-7-16)23(28)25-12-10-17(11-13-25)22(27)24-15-21(26)30-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyDJBCCDPAYVURPU-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.50
Rot. Bonds6

About methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate

methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate (PubChem CID 134801658) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
PubChem CID134801658
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namemethyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1
InChIInChI=1S/C23H26N2O5/c1-29-20-5-3-4-19(14-20)16-6-8-18(9-7-16)23(28)25-12-10-17(11-13-25)22(27)24-15-21(26)30-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyDJBCCDPAYVURPU-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 97427242
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate (CID 134801658) is methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1.
What is the InChIKey of methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate?
The InChIKey is DJBCCDPAYVURPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-29-20-5-3-4-19(14-20)16-6-8-18(9-7-16)23(28)25-12-10-17(11-13-25)22(27)24-15-21(26)30-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate?
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate has a molecular weight of 410.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 134801658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).