ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate

C18H24N2O3 — CID 94825031

IUPACethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H24N2O3/c1-2-23-17(22)19-15-9-6-12-20(13-15)16(21)18(10-11-18)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyBOILPPSXQAMCME-HNNXBMFYSA-N
MW316.40 g/mol
LogP2.46
Rot. Bonds4

About ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate

ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate (PubChem CID 94825031) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
PubChem CID94825031
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H24N2O3/c1-2-23-17(22)19-15-9-6-12-20(13-15)16(21)18(10-11-18)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyBOILPPSXQAMCME-HNNXBMFYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate (CID 94825031) is ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate is CCOC(=O)N[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1.
What is the InChIKey of ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate?
The InChIKey is BOILPPSXQAMCME-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-17(22)19-15-9-6-12-20(13-15)16(21)18(10-11-18)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate?
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 94825031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).