tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate

C17H27N3O2 — CID 71988615

IUPACtert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCN(CC1CCCN1Cc1ccncc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19(4)13-15-6-5-11-20(15)12-14-7-9-18-10-8-14/h7-10,15H,5-6,11-13H2,1-4H3
InChIKeyVRLUVZHROJOQLR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate

tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate (PubChem CID 71988615) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
PubChem CID71988615
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate
SMILESCN(CC1CCCN1Cc1ccncc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19(4)13-15-6-5-11-20(15)12-14-7-9-18-10-8-14/h7-10,15H,5-6,11-13H2,1-4H3
InChIKeyVRLUVZHROJOQLR-UHFFFAOYSA-N
XLogP2.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22856184
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl acetate
CID 139716822
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517782
tert-butyl N-methyl-N-[[4-[3-[4-(pyridin-4-ylmethyl)cyclohexyl]propanoyl]cyclohexyl]methyl]carbamate
CID 149194914
tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 170594522
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
CID 66805336
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate (CID 71988615) is tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate is CN(CC1CCCN1Cc1ccncc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is VRLUVZHROJOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19(4)13-15-6-5-11-20(15)12-14-7-9-18-10-8-14/h7-10,15H,5-6,11-13H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 71988615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).