benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate

C19H27N3O3 — CID 77144080

IUPACbenzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
SMILESCC(N)C(=O)N1CCCC(N(C(=O)OCc2ccccc2)C2CC2)C1
InChIInChI=1S/C19H27N3O3/c1-14(20)18(23)21-11-5-8-17(12-21)22(16-9-10-16)19(24)25-13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13,20H2,1H3
InChIKeyAWXOBJQWPYAYSL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.13
Rot. Bonds5

About benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate

benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate (PubChem CID 77144080) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
PubChem CID77144080
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namebenzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
SMILESCC(N)C(=O)N1CCCC(N(C(=O)OCc2ccccc2)C2CC2)C1
InChIInChI=1S/C19H27N3O3/c1-14(20)18(23)21-11-5-8-17(12-21)22(16-9-10-16)19(24)25-13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13,20H2,1H3
InChIKeyAWXOBJQWPYAYSL-UHFFFAOYSA-N
XLogP2.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
CID 66566756
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011
tert-butyl (3S)-3-[cyclopropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 121293773
benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 86222796
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
CID 77144045
benzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 66566638
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022
benzyl N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 77144103
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 66566803

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate?
The IUPAC name of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate (CID 77144080) is benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate.
What is the SMILES notation for benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate?
The canonical SMILES for benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate is CC(N)C(=O)N1CCCC(N(C(=O)OCc2ccccc2)C2CC2)C1.
What is the InChIKey of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate?
The InChIKey is AWXOBJQWPYAYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(20)18(23)21-11-5-8-17(12-21)22(16-9-10-16)19(24)25-13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13,20H2,1H3.
What are the key properties of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate?
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate is sourced from PubChem (CID 77144080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).