tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate

C17H26N4O3 — CID 97114475

IUPACtert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-8-4-5-13(10-21)23-15-9-14(18-11-19-15)20-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyONQWNCCAJUIHOM-ZDUSSCGKSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds4

About tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 97114475) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID97114475
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-8-4-5-13(10-21)23-15-9-14(18-11-19-15)20-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyONQWNCCAJUIHOM-ZDUSSCGKSA-N
XLogP2.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-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 (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
tert-butyl (3S)-3-[(6-bromo-4-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 155757653
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
tert-butyl 3-[(2-methoxy-6-methyl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 146284888
tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 86331674
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 139300285

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 97114475) is tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(NC3CC3)ncn2)C1.
What is the InChIKey of tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is ONQWNCCAJUIHOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)21-8-4-5-13(10-21)23-15-9-14(18-11-19-15)20-12-6-7-12/h9,11-13H,4-8,10H2,1-3H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 97114475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).