tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate

C24H39N5O4 — CID 91085061

IUPACtert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ncc(N3CCCCC3)cn2)CC1
InChIInChI=1S/C24H39N5O4/c1-17(2)20(27-23(31)33-24(3,4)5)21(30)29-13-9-19(10-14-29)32-22-25-15-18(16-26-22)28-11-7-6-8-12-28/h15-17,19-20H,6-14H2,1-5H3,(H,27,31)/t20-/m0/s1
InChIKeyGYQXPZIPKZKIDN-FQEVSTJZSA-N
MW461.61 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate (PubChem CID 91085061) has the molecular formula C24H39N5O4 and a molecular weight of 461.61 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate
PubChem CID91085061
Molecular FormulaC24H39N5O4
Molecular Weight461.61 g/mol
Exact Mass461.30
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ncc(N3CCCCC3)cn2)CC1
InChIInChI=1S/C24H39N5O4/c1-17(2)20(27-23(31)33-24(3,4)5)21(30)29-13-9-19(10-14-29)32-22-25-15-18(16-26-22)28-11-7-6-8-12-28/h15-17,19-20H,6-14H2,1-5H3,(H,27,31)/t20-/m0/s1
InChIKeyGYQXPZIPKZKIDN-FQEVSTJZSA-N
XLogP3.39
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate with MolForge

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Related Compounds

1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 53146179
N-Cyclohexyl-1-[2-(1-piperidinyl)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53146198
N-Cyclopentyl-1-[2-(1-piperidinyl)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53146202
1-[4-(Dimethylamino)-5-pyrimidinyl]-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 53165542
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 53165547
N-(2-Methoxyethyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165693
N-(3-Methoxypropyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165697
N-(3-Methylbutyl)-1-[4-(piperidin-1-YL)pyrimidin-5-YL]piperidine-4-carboxamide
CID 53165718
N-isopropyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165757
1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53165872
N-(3-methoxypropyl)-1-[4-(4-methylpiperazino)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53165880
N-isopentyl-1-[4-(4-methylpiperazino)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53165894

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate (CID 91085061) is tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(Oc2ncc(N3CCCCC3)cn2)CC1.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate?
The InChIKey is GYQXPZIPKZKIDN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H39N5O4/c1-17(2)20(27-23(31)33-24(3,4)5)21(30)29-13-9-19(10-14-29)32-22-25-15-18(16-26-22)28-11-7-6-8-12-28/h15-17,19-20H,6-14H2,1-5H3,(H,27,31)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate has a molecular weight of 461.61 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-(5-piperidin-1-ylpyrimidin-2-yl)oxypiperidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 91085061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).