benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate

C18H26N2O2 — CID 142021413

IUPACbenzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
SMILESCC1CC1N(C(=O)OCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C18H26N2O2/c1-14-12-17(14)20(16-8-10-19(2)11-9-16)18(21)22-13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyOZZTWLDCPAVWMU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.13
Rot. Bonds4

About benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate

benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 142021413) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID142021413
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namebenzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
SMILESCC1CC1N(C(=O)OCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C18H26N2O2/c1-14-12-17(14)20(16-8-10-19(2)11-9-16)18(21)22-13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyOZZTWLDCPAVWMU-UHFFFAOYSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate;(2R)-2-cyclohexyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142021412
3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea
CID 142021467
(2R)-2-cyclohexyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetic acid;2-phenylethyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021472
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
tert-butyl (3S)-3-[cyclopropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 121293773
benzyl N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 66566638
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 2769576

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate (CID 142021413) is benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate is CC1CC1N(C(=O)OCc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is OZZTWLDCPAVWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-12-17(14)20(16-8-10-19(2)11-9-16)18(21)22-13-15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3.
What are the key properties of benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate?
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 142021413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).