tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate

C25H30N4O2 — CID 25217000

IUPACtert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C25H30N4O2/c1-25(2,3)31-24(30)27-16-18-7-6-14-29(17-18)23-26-13-12-22(28-23)21-11-10-19-8-4-5-9-20(19)15-21/h4-5,8-13,15,18H,6-7,14,16-17H2,1-3H3,(H,27,30)
InChIKeyOOHMTFWRZMGSAE-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.04
Rot. Bonds4

About tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate

tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate (PubChem CID 25217000) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
PubChem CID25217000
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Nametert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C25H30N4O2/c1-25(2,3)31-24(30)27-16-18-7-6-14-29(17-18)23-26-13-12-22(28-23)21-11-10-19-8-4-5-9-20(19)15-21/h4-5,8-13,15,18H,6-7,14,16-17H2,1-3H3,(H,27,30)
InChIKeyOOHMTFWRZMGSAE-UHFFFAOYSA-N
XLogP5.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-2-(pyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54586443
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-[7-(4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 68095313
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-yl)pyrimidin-2-amine
CID 45487689
6-methyl-2-(2-propan-2-ylphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-4-amine
CID 60167869
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate (CID 25217000) is tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate?
The InChIKey is OOHMTFWRZMGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-25(2,3)31-24(30)27-16-18-7-6-14-29(17-18)23-26-13-12-22(28-23)21-11-10-19-8-4-5-9-20(19)15-21/h4-5,8-13,15,18H,6-7,14,16-17H2,1-3H3,(H,27,30).
What are the key properties of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methyl]carbamate has a molecular weight of 418.54 g/mol, XLogP of 5.04, 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-3-yl]methyl]carbamate is sourced from PubChem (CID 25217000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).