benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate

C19H30N2O2 — CID 112544957

IUPACbenzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OCc2ccccc2)CN(CC(C)C)C1
InChIInChI=1S/C19H30N2O2/c1-4-16-10-18(13-21(12-16)11-15(2)3)20-19(22)23-14-17-8-6-5-7-9-17/h5-9,15-16,18H,4,10-14H2,1-3H3,(H,20,22)
InChIKeyUFKWWEWKFXSOTG-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.67
Rot. Bonds6

About benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate

benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate (PubChem CID 112544957) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
PubChem CID112544957
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Namebenzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OCc2ccccc2)CN(CC(C)C)C1
InChIInChI=1S/C19H30N2O2/c1-4-16-10-18(13-21(12-16)11-15(2)3)20-19(22)23-14-17-8-6-5-7-9-17/h5-9,15-16,18H,4,10-14H2,1-3H3,(H,20,22)
InChIKeyUFKWWEWKFXSOTG-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112544983
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
methyl 1-(cyanomethyl)-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylate
CID 112545120

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate (CID 112544957) is benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate is CCC1CC(NC(=O)OCc2ccccc2)CN(CC(C)C)C1.
What is the InChIKey of benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
The InChIKey is UFKWWEWKFXSOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-16-10-18(13-21(12-16)11-15(2)3)20-19(22)23-14-17-8-6-5-7-9-17/h5-9,15-16,18H,4,10-14H2,1-3H3,(H,20,22).
What are the key properties of benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate?
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.67, 6 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-(2-methylpropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).