benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate

C18H26N2O3 — CID 112545027

IUPACbenzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
SMILESCCC(=O)N1CC(CC)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-3-14-10-16(12-20(11-14)17(21)4-2)19-18(22)23-13-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,19,22)
InChIKeyKXPFBYIVXPBZJP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.95
Rot. Bonds5

About benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate

benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate (PubChem CID 112545027) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
PubChem CID112545027
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebenzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
SMILESCCC(=O)N1CC(CC)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-3-14-10-16(12-20(11-14)17(21)4-2)19-18(22)23-13-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,19,22)
InChIKeyKXPFBYIVXPBZJP-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
benzyl N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545113
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
CID 112545003
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
benzyl N-[3-(2-aminoethyl)cyclobutyl]carbamate
CID 176910998

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate?
The IUPAC name of benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate (CID 112545027) is benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate is CCC(=O)N1CC(CC)CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate?
The InChIKey is KXPFBYIVXPBZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-14-10-16(12-20(11-14)17(21)4-2)19-18(22)23-13-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3,(H,19,22).
What are the key properties of benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate?
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112545027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).