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

C23H29N3O3 — CID 124500264

IUPACbenzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H29N3O3/c1-18-20(10-11-22(24-18)25-13-15-28-16-14-25)21-9-5-6-12-26(21)23(27)29-17-19-7-3-2-4-8-19/h2-4,7-8,10-11,21H,5-6,9,12-17H2,1H3/t21-/m0/s1
InChIKeyKDPAIVUEDGTAAK-NRFANRHFSA-N
MW395.50 g/mol
LogP4.09
Rot. Bonds4

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

benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 124500264) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID124500264
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namebenzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H29N3O3/c1-18-20(10-11-22(24-18)25-13-15-28-16-14-25)21-9-5-6-12-26(21)23(27)29-17-19-7-3-2-4-8-19/h2-4,7-8,10-11,21H,5-6,9,12-17H2,1H3/t21-/m0/s1
InChIKeyKDPAIVUEDGTAAK-NRFANRHFSA-N
XLogP4.09
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
CID 124500262
1-[(2R)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 124500229
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
5-methyl-2-(1-phenylmethoxycarbonylpyrrolidin-2-yl)-1,3-oxazole-4-carboxylic acid
CID 85274193
4-[6-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-2-pyridinyl]morpholine
CID 124500255
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-(2-methyl-6-sulfanylidene-1H-pyridin-3-yl)pyrrolidine-1-carboxylate
CID 102542728
benzyl (1R,8R)-5-morpholin-4-yl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
CID 122576796
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541678

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate (CID 124500264) is benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate is Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is KDPAIVUEDGTAAK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-20(10-11-22(24-18)25-13-15-28-16-14-25)21-9-5-6-12-26(21)23(27)29-17-19-7-3-2-4-8-19/h2-4,7-8,10-11,21H,5-6,9,12-17H2,1H3/t21-/m0/s1.
What are the key properties of benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate?
benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 124500264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).