tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate

C18H25N3O3 — CID 84595915

IUPACtert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(c2nccc3occc23)C1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(22)20-11-13-5-4-9-21(12-13)16-14-7-10-23-15(14)6-8-19-16/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H,20,22)
InChIKeyMYRJJVDSLFVPEL-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.57
Rot. Bonds3

About tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate

tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate (PubChem CID 84595915) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate
PubChem CID84595915
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(c2nccc3occc23)C1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(22)20-11-13-5-4-9-21(12-13)16-14-7-10-23-15(14)6-8-19-16/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H,20,22)
InChIKeyMYRJJVDSLFVPEL-UHFFFAOYSA-N
XLogP3.57
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
tert-butyl N-[[(3R)-1-(2-chloropyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 97174350
tert-butyl N-[[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 71648617
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
tert-butyl N-[[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
CID 71632288
tert-butyl N-[[(3S)-1-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]carbamate
CID 97174419
ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
CID 99636617
tert-butyl N-[[(3S)-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 97007693
tert-butyl N-[[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methyl]carbamate
CID 91646940
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
CID 103702822
tert-butyl N-[[(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methyl]carbamate
CID 97174422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate (CID 84595915) is tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCN(c2nccc3occc23)C1.
What is the InChIKey of tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate?
The InChIKey is MYRJJVDSLFVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)24-17(22)20-11-13-5-4-9-21(12-13)16-14-7-10-23-15(14)6-8-19-16/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate?
tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate has a molecular weight of 331.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]carbamate is sourced from PubChem (CID 84595915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).