benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate

C18H27N3O3 — CID 66566756

IUPACbenzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C18H27N3O3/c1-3-21(18(23)24-13-15-8-5-4-6-9-15)16-10-7-11-20(12-16)17(22)14(2)19/h4-6,8-9,14,16H,3,7,10-13,19H2,1-2H3/t14-,16+/m0/s1
InChIKeyKSFWCZYOIPKJBX-GOEBONIOSA-N
MW333.43 g/mol
LogP1.98
Rot. Bonds5

About benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate

benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate (PubChem CID 66566756) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
PubChem CID66566756
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namebenzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C18H27N3O3/c1-3-21(18(23)24-13-15-8-5-4-6-9-15)16-10-7-11-20(12-16)17(22)14(2)19/h4-6,8-9,14,16H,3,7,10-13,19H2,1-2H3/t14-,16+/m0/s1
InChIKeyKSFWCZYOIPKJBX-GOEBONIOSA-N
XLogP1.98
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
benzyl N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 77144103
benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
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-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-ethylcarbamate
CID 66566751
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96554022

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate?
The IUPAC name of benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate (CID 66566756) is benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate.
What is the SMILES notation for benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate?
The canonical SMILES for benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate is CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1.
What is the InChIKey of benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate?
The InChIKey is KSFWCZYOIPKJBX-GOEBONIOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-21(18(23)24-13-15-8-5-4-6-9-15)16-10-7-11-20(12-16)17(22)14(2)19/h4-6,8-9,14,16H,3,7,10-13,19H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate?
benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate is sourced from PubChem (CID 66566756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).