benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate

C16H23N3O3 — CID 96552603

IUPACbenzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
SMILESNCC(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c17-9-15(20)18-10-14-7-4-8-19(11-14)16(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2,(H,18,20)/t14-/m1/s1
InChIKeyQCNYPKOTADMOIS-CQSZACIVSA-N
MW305.38 g/mol
LogP1.11
Rot. Bonds5

About benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate

benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 96552603) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID96552603
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
SMILESNCC(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c17-9-15(20)18-10-14-7-4-8-19(11-14)16(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2,(H,18,20)/t14-/m1/s1
InChIKeyQCNYPKOTADMOIS-CQSZACIVSA-N
XLogP1.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate 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

benzyl 3-[(trifluoromethylamino)methyl]piperidine-1-carboxylate
CID 71648887
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 143244812
benzyl N-[(1-prop-2-enoylpiperidin-3-yl)methyl]carbamate
CID 166410489
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
(1-phenylmethoxycarbonylpiperidin-3-yl)methanesulfonic acid
CID 54551842
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268
benzyl (3R)-3-(3-chloropropyl)piperidine-1-carboxylate
CID 97166701
benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
CID 118182040
benzyl (3R)-3-(3-bromopropyl)piperidine-1-carboxylate
CID 97170477

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate (CID 96552603) is benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate is NCC(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is QCNYPKOTADMOIS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-9-15(20)18-10-14-7-4-8-19(11-14)16(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2,(H,18,20)/t14-/m1/s1.
What are the key properties of benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 96552603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).