benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate

C19H21N3O4 — CID 66706152

IUPACbenzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CN(C(=O)OCc2ccccc2)CCC1O)c1ccccn1
InChIInChI=1S/C19H21N3O4/c23-17-9-11-22(19(25)26-13-14-6-2-1-3-7-14)12-16(17)21-18(24)15-8-4-5-10-20-15/h1-8,10,16-17,23H,9,11-13H2,(H,21,24)
InChIKeyTWMINPNWSLOMQC-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.58
Rot. Bonds4

About benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate

benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 66706152) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID66706152
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namebenzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CN(C(=O)OCc2ccccc2)CCC1O)c1ccccn1
InChIInChI=1S/C19H21N3O4/c23-17-9-11-22(19(25)26-13-14-6-2-1-3-7-14)12-16(17)21-18(24)15-8-4-5-10-20-15/h1-8,10,16-17,23H,9,11-13H2,(H,21,24)
InChIKeyTWMINPNWSLOMQC-UHFFFAOYSA-N
XLogP1.58
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 58076922
benzyl 3-oxo-4-(pyridine-2-carbonylamino)azepane-1-carboxylate
CID 58076912
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
ethyl 4-[[(1R,2S)-2-(pyridine-2-carbonylamino)cyclobutyl]amino]piperidine-1-carboxylate
CID 56910971
benzyl (3S,4S)-3-amino-4-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-3-[(3-bromo-2-methylbenzoyl)amino]-4-hydroxypiperidine-1-carboxylate;3-bromo-2-methylbenzoic acid
CID 164973898
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate (CID 66706152) is benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate is O=C(NC1CN(C(=O)OCc2ccccc2)CCC1O)c1ccccn1.
What is the InChIKey of benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is TWMINPNWSLOMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17-9-11-22(19(25)26-13-14-6-2-1-3-7-14)12-16(17)21-18(24)15-8-4-5-10-20-15/h1-8,10,16-17,23H,9,11-13H2,(H,21,24).
What are the key properties of benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 66706152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).