tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate

C23H31N3O2 — CID 127264024

IUPACtert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccn2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-22(2,3)28-21(27)25-18-23(20-11-7-8-14-24-20)12-15-26(16-13-23)17-19-9-5-4-6-10-19/h4-11,14H,12-13,15-18H2,1-3H3,(H,25,27)
InChIKeyYBEQOHROOPTJSY-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.14
Rot. Bonds5

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

tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate (PubChem CID 127264024) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
PubChem CID127264024
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Nametert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccccn2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-22(2,3)28-21(27)25-18-23(20-11-7-8-14-24-20)12-15-26(16-13-23)17-19-9-5-4-6-10-19/h4-11,14H,12-13,15-18H2,1-3H3,(H,25,27)
InChIKeyYBEQOHROOPTJSY-UHFFFAOYSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
tert-butyl N-[[1-[(4-benzylpiperazin-1-yl)methyl]cyclohexyl]methyl]carbamate
CID 18430867
tert-butyl N-[[(3R,4S)-1-benzyl-3,4-dihydroxypiperidin-4-yl]methyl]carbamate
CID 125130365
tert-butyl N-[[(3aR,6aS)-2-benzyl-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]methyl]carbamate
CID 138455618
tert-butyl N-[[(1S,5S)-3-benzyl-3-azabicyclo[3.2.0]heptan-1-yl]methyl]carbamate
CID 129391344
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
tert-butyl N-[3-(N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]anilino)-3-oxopropyl]carbamate
CID 167270941
tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 139535988
tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
CID 130269222
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
4-[[4-(2-phenylethyl)-4-pyridin-2-ylpiperidin-1-yl]methyl]aniline
CID 135322521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate (CID 127264024) is tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ccccn2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate?
The InChIKey is YBEQOHROOPTJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-22(2,3)28-21(27)25-18-23(20-11-7-8-14-24-20)12-15-26(16-13-23)17-19-9-5-4-6-10-19/h4-11,14H,12-13,15-18H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate has a molecular weight of 381.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 127264024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).