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

C17H23N3O4 — CID 47932223

IUPACethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-17(23)19-14-8-10-20(11-9-14)15(21)12-18-16(22)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyCAMAVHKTCDGPJB-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.15
Rot. Bonds5

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

ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate (PubChem CID 47932223) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
PubChem CID47932223
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O4/c1-2-24-17(23)19-14-8-10-20(11-9-14)15(21)12-18-16(22)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyCAMAVHKTCDGPJB-UHFFFAOYSA-N
XLogP1.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
CID 47076923
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
CID 110821710
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate (CID 47932223) is ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(=O)CNC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
The InChIKey is CAMAVHKTCDGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-2-24-17(23)19-14-8-10-20(11-9-14)15(21)12-18-16(22)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate?
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 47932223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).