methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate

C16H21N3O4 — CID 142124553

IUPACmethyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H21N3O4/c1-23-14(20)11-17-16(22)19-9-7-13(8-10-19)18-15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,22)(H,18,21)
InChIKeyDDVFUPBGWCRBMC-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate

methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate (PubChem CID 142124553) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
PubChem CID142124553
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemethyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H21N3O4/c1-23-14(20)11-17-16(22)19-9-7-13(8-10-19)18-15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,22)(H,18,21)
InChIKeyDDVFUPBGWCRBMC-UHFFFAOYSA-N
XLogP0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218538
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate (CID 142124553) is methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate is COC(=O)CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate?
The InChIKey is DDVFUPBGWCRBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-23-14(20)11-17-16(22)19-9-7-13(8-10-19)18-15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,22)(H,18,21).
What are the key properties of methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate?
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate has a molecular weight of 319.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 142124553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).