ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate

C21H27N3O3 — CID 94112463

IUPACethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)NCCc2cccc3ccccc23)C1
InChIInChI=1S/C21H27N3O3/c1-2-27-21(26)23-18-10-6-14-24(15-18)20(25)22-13-12-17-9-5-8-16-7-3-4-11-19(16)17/h3-5,7-9,11,18H,2,6,10,12-15H2,1H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyZRFYXABNEKHJSA-GOSISDBHSA-N
MW369.46 g/mol
LogP3.30
Rot. Bonds5

About ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate

ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate (PubChem CID 94112463) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate
PubChem CID94112463
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Nameethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)NCCc2cccc3ccccc23)C1
InChIInChI=1S/C21H27N3O3/c1-2-27-21(26)23-18-10-6-14-24(15-18)20(25)22-13-12-17-9-5-8-16-7-3-4-11-19(16)17/h3-5,7-9,11,18H,2,6,10,12-15H2,1H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyZRFYXABNEKHJSA-GOSISDBHSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate (CID 94112463) is ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(C(=O)NCCc2cccc3ccccc23)C1.
What is the InChIKey of ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate?
The InChIKey is ZRFYXABNEKHJSA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-27-21(26)23-18-10-6-14-24(15-18)20(25)22-13-12-17-9-5-8-16-7-3-4-11-19(16)17/h3-5,7-9,11,18H,2,6,10,12-15H2,1H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate?
ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate has a molecular weight of 369.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-1-(2-naphthalen-1-ylethylcarbamoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 94112463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).