tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate

C26H31N3O2 — CID 70907092

IUPACtert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCCCC3)nc2)c2ccccc12
InChIInChI=1S/C26H31N3O2/c1-26(2,3)31-25(30)28-24-14-13-21(22-9-5-6-10-23(22)24)19-11-12-20(27-17-19)18-29-15-7-4-8-16-29/h5-6,9-14,17H,4,7-8,15-16,18H2,1-3H3,(H,28,30)
InChIKeyXHNXTRRCKJGHKD-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.23
Rot. Bonds4

About tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate

tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate (PubChem CID 70907092) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate
PubChem CID70907092
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Nametert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCCCC3)nc2)c2ccccc12
InChIInChI=1S/C26H31N3O2/c1-26(2,3)31-25(30)28-24-14-13-21(22-9-5-6-10-23(22)24)19-11-12-20(27-17-19)18-29-15-7-4-8-16-29/h5-6,9-14,17H,4,7-8,15-16,18H2,1-3H3,(H,28,30)
InChIKeyXHNXTRRCKJGHKD-UHFFFAOYSA-N
XLogP6.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate (CID 70907092) is tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN3CCCCC3)nc2)c2ccccc12.
What is the InChIKey of tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate?
The InChIKey is XHNXTRRCKJGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-26(2,3)31-25(30)28-24-14-13-21(22-9-5-6-10-23(22)24)19-11-12-20(27-17-19)18-29-15-7-4-8-16-29/h5-6,9-14,17H,4,7-8,15-16,18H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate?
tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate has a molecular weight of 417.55 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamate is sourced from PubChem (CID 70907092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).