tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate

C20H30N4O4 — CID 122257425

IUPACtert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(Oc3ncccn3)C2)C1
InChIInChI=1S/C20H30N4O4/c1-20(2,3)28-19(26)24-12-4-7-15(13-24)17(25)23-11-5-8-16(14-23)27-18-21-9-6-10-22-18/h6,9-10,15-16H,4-5,7-8,11-14H2,1-3H3
InChIKeyKXLSVOGTBFTCKC-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 122257425) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID122257425
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nametert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(Oc3ncccn3)C2)C1
InChIInChI=1S/C20H30N4O4/c1-20(2,3)28-19(26)24-12-4-7-15(13-24)17(25)23-11-5-8-16(14-23)27-18-21-9-6-10-22-18/h6,9-10,15-16H,4-5,7-8,11-14H2,1-3H3
InChIKeyKXLSVOGTBFTCKC-UHFFFAOYSA-N
XLogP2.49
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate (CID 122257425) is tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCC(Oc3ncccn3)C2)C1.
What is the InChIKey of tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is KXLSVOGTBFTCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-20(2,3)28-19(26)24-12-4-7-15(13-24)17(25)23-11-5-8-16(14-23)27-18-21-9-6-10-22-18/h6,9-10,15-16H,4-5,7-8,11-14H2,1-3H3.
What are the key properties of tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 122257425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).