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

C24H28N4O2 — CID 25216878

IUPACtert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)26-20-11-14-28(15-12-20)22-25-13-10-21(27-22)19-9-8-17-6-4-5-7-18(17)16-19/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,26,29)
InChIKeyKUZRKDOYOPCNQD-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.79
Rot. Bonds3

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

tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate (PubChem CID 25216878) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate
PubChem CID25216878
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Nametert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)26-20-11-14-28(15-12-20)22-25-13-10-21(27-22)19-9-8-17-6-4-5-7-18(17)16-19/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,26,29)
InChIKeyKUZRKDOYOPCNQD-UHFFFAOYSA-N
XLogP4.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.79
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
N-[(1R)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 24737670
N-[(1S)-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 24891701
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
N-[1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 68486699
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate (CID 25216878) is tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate?
The InChIKey is KUZRKDOYOPCNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)26-20-11-14-28(15-12-20)22-25-13-10-21(27-22)19-9-8-17-6-4-5-7-18(17)16-19/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate has a molecular weight of 404.51 g/mol, XLogP of 4.79, 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-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 25216878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).