benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate

C19H27N3O3 — CID 96553991

IUPACbenzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
SMILESNCC(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1
InChIInChI=1S/C19H27N3O3/c20-11-18(23)21-10-4-7-16(12-21)13-22(17-8-9-17)19(24)25-14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,20H2/t16-/m1/s1
InChIKeyHHWIJSPNJKTMSV-MRXNPFEDSA-N
MW345.44 g/mol
LogP1.98
Rot. Bonds6

About benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate

benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate (PubChem CID 96553991) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
PubChem CID96553991
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namebenzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
SMILESNCC(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1
InChIInChI=1S/C19H27N3O3/c20-11-18(23)21-10-4-7-16(12-21)13-22(17-8-9-17)19(24)25-14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,20H2/t16-/m1/s1
InChIKeyHHWIJSPNJKTMSV-MRXNPFEDSA-N
XLogP1.98
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985
benzyl N-[[(2R)-1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-cyclopropylcarbamate
CID 96553990
benzyl N-[[(3R)-1-(2-chloroacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 96553929
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl (3S)-3-[[2-aminoethyl(cyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 96552357
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552079
benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate?
The IUPAC name of benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate (CID 96553991) is benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate?
The canonical SMILES for benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate is NCC(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1.
What is the InChIKey of benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate?
The InChIKey is HHWIJSPNJKTMSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-11-18(23)21-10-4-7-16(12-21)13-22(17-8-9-17)19(24)25-14-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14,20H2/t16-/m1/s1.
What are the key properties of benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate?
benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 96553991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).