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

C18H26N2O2 — CID 112545084

IUPACbenzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
SMILESCC1CC(NC(=O)OCc2ccccc2)CN(CC2CC2)C1
InChIInChI=1S/C18H26N2O2/c1-14-9-17(12-20(10-14)11-15-7-8-15)19-18(21)22-13-16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,19,21)
InChIKeyMBUQGLDBEPVBDM-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.03
Rot. Bonds5

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

benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate (PubChem CID 112545084) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
PubChem CID112545084
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namebenzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
SMILESCC1CC(NC(=O)OCc2ccccc2)CN(CC2CC2)C1
InChIInChI=1S/C18H26N2O2/c1-14-9-17(12-20(10-14)11-15-7-8-15)19-18(21)22-13-16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,19,21)
InChIKeyMBUQGLDBEPVBDM-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.03
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-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-[5-(cyclopropylmethyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112544983
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
benzyl N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545113
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate (CID 112545084) is benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate is CC1CC(NC(=O)OCc2ccccc2)CN(CC2CC2)C1.
What is the InChIKey of benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate?
The InChIKey is MBUQGLDBEPVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-9-17(12-20(10-14)11-15-7-8-15)19-18(21)22-13-16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3,(H,19,21).
What are the key properties of benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate?
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.03, 5 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-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112545084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).