benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate

C22H35N3O2 — CID 2769576

IUPACbenzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCN1CCC(CC(CN2CCCC2)N(C)C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H35N3O2/c1-23-14-10-19(11-15-23)16-21(17-25-12-6-7-13-25)24(2)22(26)27-18-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3
InChIKeyRWNSCXSOKSKTEF-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.45
Rot. Bonds7

About benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate

benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 2769576) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID2769576
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Namebenzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCN1CCC(CC(CN2CCCC2)N(C)C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H35N3O2/c1-23-14-10-19(11-15-23)16-21(17-25-12-6-7-13-25)24(2)22(26)27-18-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3
InChIKeyRWNSCXSOKSKTEF-UHFFFAOYSA-N
XLogP3.45
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl N-methyl-N-[(1S)-1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]carbamate
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benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
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benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
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(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
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benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 2769576) is benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate is CN1CCC(CC(CN2CCCC2)N(C)C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is RWNSCXSOKSKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-23-14-10-19(11-15-23)16-21(17-25-12-6-7-13-25)24(2)22(26)27-18-20-8-4-3-5-9-20/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3.
What are the key properties of benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate?
benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate has a molecular weight of 373.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 2769576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).