methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate

C16H21N3O4 — CID 110821590

IUPACmethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H21N3O4/c1-23-16(22)18-13-7-9-19(10-8-13)14(20)11-17-15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyNVMZGXNHJMMVEE-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.76
Rot. Bonds4

About methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate

methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate (PubChem CID 110821590) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
PubChem CID110821590
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H21N3O4/c1-23-16(22)18-13-7-9-19(10-8-13)14(20)11-17-15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyNVMZGXNHJMMVEE-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

ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 119698223
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate (CID 110821590) is methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
The InChIKey is NVMZGXNHJMMVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-23-16(22)18-13-7-9-19(10-8-13)14(20)11-17-15(21)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate 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 N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110821590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).