ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate

C12H22N2O3 — CID 51940896

IUPACethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)13-7-6-11(15)14-8-4-5-10(2)9-14/h10H,3-9H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyNXPPZWKIODGXLH-JTQLQIEISA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds4

About ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate

ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 51940896) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID51940896
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)13-7-6-11(15)14-8-4-5-10(2)9-14/h10H,3-9H2,1-2H3,(H,13,16)/t10-/m0/s1
InChIKeyNXPPZWKIODGXLH-JTQLQIEISA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate (CID 51940896) is ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is NXPPZWKIODGXLH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)13-7-6-11(15)14-8-4-5-10(2)9-14/h10H,3-9H2,1-2H3,(H,13,16)/t10-/m0/s1.
What are the key properties of ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate?
ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 51940896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).