tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane

C29H42N4O2 — CID 91479017

IUPACtert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C25H30N4O2.2C2H6/c1-25(2,3)31-24(30)27-17-18-11-14-29(15-12-18)23-26-13-10-22(28-23)21-9-8-19-6-4-5-7-20(19)16-21;2*1-2/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3,(H,27,30);2*1-2H3
InChIKeyWZXOVUSYDPEVKS-UHFFFAOYSA-N
MW478.68 g/mol
LogP7.09
Rot. Bonds4

About tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane

tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane (PubChem CID 91479017) has the molecular formula C29H42N4O2 and a molecular weight of 478.68 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane
PubChem CID91479017
Molecular FormulaC29H42N4O2
Molecular Weight478.68 g/mol
Exact Mass478.33
IUPAC Nametert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C25H30N4O2.2C2H6/c1-25(2,3)31-24(30)27-17-18-11-14-29(15-12-18)23-26-13-10-22(28-23)21-9-8-19-6-4-5-7-20(19)16-21;2*1-2/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3,(H,27,30);2*1-2H3
InChIKeyWZXOVUSYDPEVKS-UHFFFAOYSA-N
XLogP7.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane with MolForge

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Related Compounds

(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-amine
CID 25216880
methyl N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]carbamate
CID 66575905
1-Ethyl-3-(8-methyl-5-pyrimidin-4-ylisoquinolin-3-yl)urea
CID 67449631
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489723
(4S)-3-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490150
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-yl)pyrimidin-2-amine
CID 45487689
N-[(1R)-1-[4-[(7-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 71583603
1-Ethyl-3-(8-methyl-5-pyrimidin-5-ylisoquinolin-3-yl)urea
CID 137640458
tert-butyl N-[4-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]carbamate
CID 145975537
N-1-naphthyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2980336
N-((1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
CID 44551057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane (CID 91479017) is tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane is CC.CC.CC(C)(C)OC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane?
The InChIKey is WZXOVUSYDPEVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.2C2H6/c1-25(2,3)31-24(30)27-17-18-11-14-29(15-12-18)23-26-13-10-22(28-23)21-9-8-19-6-4-5-7-20(19)16-21;2*1-2/h4-10,13,16,18H,11-12,14-15,17H2,1-3H3,(H,27,30);2*1-2H3.
What are the key properties of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane?
tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane has a molecular weight of 478.68 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methyl]carbamate;ethane is sourced from PubChem (CID 91479017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).