tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate

C17H25ClN4O2 — CID 168973467

IUPACtert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1
InChIInChI=1S/C17H25ClN4O2/c1-17(2,3)24-16(23)22-8-4-5-12(10-22)19-14-9-13(11-6-7-11)15(18)21-20-14/h9,11-12H,4-8,10H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyMHERJWYOTJIOFS-GFCCVEGCSA-N
MW352.87 g/mol
LogP3.82
Rot. Bonds3

About tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate (PubChem CID 168973467) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate
PubChem CID168973467
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Nametert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1
InChIInChI=1S/C17H25ClN4O2/c1-17(2,3)24-16(23)22-8-4-5-12(10-22)19-14-9-13(11-6-7-11)15(18)21-20-14/h9,11-12H,4-8,10H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyMHERJWYOTJIOFS-GFCCVEGCSA-N
XLogP3.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
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CID 26385053
tert-butyl 3-[(6-chloro-5-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 42609078
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 171545217
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864
tert-butyl (3S)-3-[(2-chloro-5-formyl-4-pyridinyl)amino]piperidine-1-carboxylate
CID 166590506
tert-butyl (3S)-3-[2-(3,6-dichloropyridazin-4-yl)oxyethylamino]piperidine-1-carboxylate
CID 176909060
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(4-chloro-2-iodoanilino)piperidine-1-carboxylate
CID 107632499
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate (CID 168973467) is tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is MHERJWYOTJIOFS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-17(2,3)24-16(23)22-8-4-5-12(10-22)19-14-9-13(11-6-7-11)15(18)21-20-14/h9,11-12H,4-8,10H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 352.87 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 168973467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).