benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate

C19H28N2O2 — CID 112545085

IUPACbenzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OCc2ccccc2)CN(CC2CC2)C1
InChIInChI=1S/C19H28N2O2/c1-2-15-10-18(13-21(11-15)12-16-8-9-16)20-19(22)23-14-17-6-4-3-5-7-17/h3-7,15-16,18H,2,8-14H2,1H3,(H,20,22)
InChIKeyTYTDUQHWHPVCJI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.42
Rot. Bonds6

About benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate

benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate (PubChem CID 112545085) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
PubChem CID112545085
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namebenzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OCc2ccccc2)CN(CC2CC2)C1
InChIInChI=1S/C19H28N2O2/c1-2-15-10-18(13-21(11-15)12-16-8-9-16)20-19(22)23-14-17-6-4-3-5-7-17/h3-7,15-16,18H,2,8-14H2,1H3,(H,20,22)
InChIKeyTYTDUQHWHPVCJI-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
benzyl N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545113
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112544983
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate (CID 112545085) is benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate is CCC1CC(NC(=O)OCc2ccccc2)CN(CC2CC2)C1.
What is the InChIKey of benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The InChIKey is TYTDUQHWHPVCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-15-10-18(13-21(11-15)12-16-8-9-16)20-19(22)23-14-17-6-4-3-5-7-17/h3-7,15-16,18H,2,8-14H2,1H3,(H,20,22).
What are the key properties of benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate has a molecular weight of 316.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112545085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).