benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate

C16H22N2O3 — CID 69260154

IUPACbenzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccccc1)[C@H]1CCCNC1=O
InChIInChI=1S/C16H22N2O3/c1-2-11-18(14-9-6-10-17-15(14)19)16(20)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyRECNNHVPAQAERI-AWEZNQCLSA-N
MW290.36 g/mol
LogP2.31
Rot. Bonds5

About benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate

benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate (PubChem CID 69260154) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
PubChem CID69260154
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namebenzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OCc1ccccc1)[C@H]1CCCNC1=O
InChIInChI=1S/C16H22N2O3/c1-2-11-18(14-9-6-10-17-15(14)19)16(20)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyRECNNHVPAQAERI-AWEZNQCLSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
3-(2-amino-N-propylanilino)azepan-2-one
CID 63230674
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
benzyl N-ethyl-N-propylcarbamate
CID 126656974
N-(2-oxopyrrolidin-3-yl)-N-propylacetamide
CID 91422765
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
3-[(2-aminophenyl)methyl-propylamino]azepan-2-one
CID 43459941

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate?
The IUPAC name of benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate (CID 69260154) is benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate.
What is the SMILES notation for benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate?
The canonical SMILES for benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate is CCCN(C(=O)OCc1ccccc1)[C@H]1CCCNC1=O.
What is the InChIKey of benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate?
The InChIKey is RECNNHVPAQAERI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-11-18(14-9-6-10-17-15(14)19)16(20)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate?
benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate has a molecular weight of 290.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate is sourced from PubChem (CID 69260154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).