ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate

C18H26N2O3 — CID 110348071

IUPACethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)19-14(2)17(21)20-11-9-16(10-12-20)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyWUWKJJXERLYWJT-AWEZNQCLSA-N
MW318.42 g/mol
LogP2.60
Rot. Bonds5

About ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate

ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 110348071) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID110348071
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-23-18(22)19-14(2)17(21)20-11-9-16(10-12-20)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyWUWKJJXERLYWJT-AWEZNQCLSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
3-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,1-diethylurea
CID 110348074
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
3-amino-N-[1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-methylbutanamide
CID 120500592
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
tert-butyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14281310
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate (CID 110348071) is ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate is CCOC(=O)N[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is WUWKJJXERLYWJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-18(22)19-14(2)17(21)20-11-9-16(10-12-20)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 110348071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).