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

C13H16N2O3 — CID 11482034

IUPACbenzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
SMILESO=C(N[C@H]1CCCNC1=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12-11(7-4-8-14-12)15-13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyKVHNKJHAXXEKFU-NSHDSACASA-N
MW248.28 g/mol
LogP1.19
Rot. Bonds3

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

benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate (PubChem CID 11482034) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
PubChem CID11482034
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate
SMILESO=C(N[C@H]1CCCNC1=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12-11(7-4-8-14-12)15-13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyKVHNKJHAXXEKFU-NSHDSACASA-N
XLogP1.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate (CID 11482034) is benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate is O=C(N[C@H]1CCCNC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate?
The InChIKey is KVHNKJHAXXEKFU-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12-11(7-4-8-14-12)15-13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate?
benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 11482034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).