ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate

C18H26N4O3 — CID 56910971

IUPACethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2ccccn2)CC1
InChIInChI=1S/C18H26N4O3/c1-2-25-18(24)22-11-8-13(9-12-22)20-14-6-7-15(14)21-17(23)16-5-3-4-10-19-16/h3-5,10,13-15,20H,2,6-9,11-12H2,1H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyDHGVOKGUTNXNFB-CABCVRRESA-N
MW346.43 g/mol
LogP1.55
Rot. Bonds5

About ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate

ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate (PubChem CID 56910971) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
PubChem CID56910971
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2ccccn2)CC1
InChIInChI=1S/C18H26N4O3/c1-2-25-18(24)22-11-8-13(9-12-22)20-14-6-7-15(14)21-17(23)16-5-3-4-10-19-16/h3-5,10,13-15,20H,2,6-9,11-12H2,1H3,(H,21,23)/t14-,15+/m1/s1
InChIKeyDHGVOKGUTNXNFB-CABCVRRESA-N
XLogP1.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706152
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate (CID 56910971) is ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2ccccn2)CC1.
What is the InChIKey of ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate?
The InChIKey is DHGVOKGUTNXNFB-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-25-18(24)22-11-8-13(9-12-22)20-14-6-7-15(14)21-17(23)16-5-3-4-10-19-16/h3-5,10,13-15,20H,2,6-9,11-12H2,1H3,(H,21,23)/t14-,15+/m1/s1.
What are the key properties of ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 56910971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).