tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate

C16H25N3O2 — CID 121230488

IUPACtert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(c2cccnc2)CCNCC1
InChIInChI=1S/C16H25N3O2/c1-15(2,3)21-14(20)19(4)16(7-10-17-11-8-16)13-6-5-9-18-12-13/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyLEBUFFBEBIFOIM-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate

tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate (PubChem CID 121230488) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate
PubChem CID121230488
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(c2cccnc2)CCNCC1
InChIInChI=1S/C16H25N3O2/c1-15(2,3)21-14(20)19(4)16(7-10-17-11-8-16)13-6-5-9-18-12-13/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyLEBUFFBEBIFOIM-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate (CID 121230488) is tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate is CN(C(=O)OC(C)(C)C)C1(c2cccnc2)CCNCC1.
What is the InChIKey of tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate?
The InChIKey is LEBUFFBEBIFOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2,3)21-14(20)19(4)16(7-10-17-11-8-16)13-6-5-9-18-12-13/h5-6,9,12,17H,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate?
tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate has a molecular weight of 291.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 121230488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).