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

C17H25N3O3 — CID 77143740

IUPACbenzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
SMILESCC(N)C(=O)N(C)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-13(18)16(21)19(2)15-9-6-10-20(11-15)17(22)23-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12,18H2,1-2H3
InChIKeyVDJGRMUBMCCAKV-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.59
Rot. Bonds4

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

benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate (PubChem CID 77143740) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
PubChem CID77143740
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namebenzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
SMILESCC(N)C(=O)N(C)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-13(18)16(21)19(2)15-9-6-10-20(11-15)17(22)23-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12,18H2,1-2H3
InChIKeyVDJGRMUBMCCAKV-UHFFFAOYSA-N
XLogP1.59
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl (3R)-3-[[(2S)-2-aminopropanoyl]-propan-2-ylamino]pyrrolidine-1-carboxylate
CID 66564895
benzyl 3-[2-aminoethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564362
benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564317
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
benzyl (3S)-3-[[[(2S)-2-aminopropanoyl]-cyclopropylamino]methyl]pyrrolidine-1-carboxylate
CID 96552706
2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66563946
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
benzyl (3R)-3-[aminocarbamothioyl(methyl)amino]pyrrolidine-1-carboxylate
CID 58202128

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate (CID 77143740) is benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate is CC(N)C(=O)N(C)C1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is VDJGRMUBMCCAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(18)16(21)19(2)15-9-6-10-20(11-15)17(22)23-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12,18H2,1-2H3.
What are the key properties of benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate?
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 77143740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).