benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate

C23H30N4O3 — CID 59893765

IUPACbenzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CCCCN1CNc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H30N4O3/c28-23(30-17-19-6-2-1-3-7-19)21-8-4-5-11-27(21)18-25-20-9-10-22(24-16-20)26-12-14-29-15-13-26/h1-3,6-7,9-10,16,21,25H,4-5,8,11-15,17-18H2/t21-/m0/s1
InChIKeyWCFHGNJRROZFDQ-NRFANRHFSA-N
MW410.52 g/mol
LogP2.89
Rot. Bonds7

About benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate

benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate (PubChem CID 59893765) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate
PubChem CID59893765
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Namebenzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CCCCN1CNc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H30N4O3/c28-23(30-17-19-6-2-1-3-7-19)21-8-4-5-11-27(21)18-25-20-9-10-22(24-16-20)26-12-14-29-15-13-26/h1-3,6-7,9-10,16,21,25H,4-5,8,11-15,17-18H2/t21-/m0/s1
InChIKeyWCFHGNJRROZFDQ-NRFANRHFSA-N
XLogP2.89
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate with MolForge

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Related Compounds

benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
CID 70024698
1,3-bis(phenylmethoxy)propan-2-yl (2S)-1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
CID 10232858
N-benzyl-6-morpholin-4-ylpyridin-3-amine
CID 43724757
benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 59049648
benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
CID 170991850
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
CID 130196328
benzyl N-[(1S)-2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]carbamate
CID 168852131
benzyl (2S)-1-(aminomethyl)piperidine-2-carboxylate;benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 159940810
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate?
The IUPAC name of benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate (CID 59893765) is benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate is O=C(OCc1ccccc1)[C@@H]1CCCCN1CNc1ccc(N2CCOCC2)nc1.
What is the InChIKey of benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate?
The InChIKey is WCFHGNJRROZFDQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-23(30-17-19-6-2-1-3-7-19)21-8-4-5-11-27(21)18-25-20-9-10-22(24-16-20)26-12-14-29-15-13-26/h1-3,6-7,9-10,16,21,25H,4-5,8,11-15,17-18H2/t21-/m0/s1.
What are the key properties of benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate?
benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate has a molecular weight of 410.52 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 59893765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).