methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate

C19H27N3O4 — CID 97192692

IUPACmethyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@@H]1C(=O)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C19H27N3O4/c1-25-19(24)22-10-3-2-6-17(22)18(23)21-11-7-16(8-12-21)26-14-15-5-4-9-20-13-15/h4-5,9,13,16-17H,2-3,6-8,10-12,14H2,1H3/t17-/m1/s1
InChIKeyXGXUYRWJOSANNW-QGZVFWFLSA-N
MW361.44 g/mol
LogP2.21
Rot. Bonds4

About methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate

methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 97192692) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID97192692
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@@H]1C(=O)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C19H27N3O4/c1-25-19(24)22-10-3-2-6-17(22)18(23)21-11-7-16(8-12-21)26-14-15-5-4-9-20-13-15/h4-5,9,13,16-17H,2-3,6-8,10-12,14H2,1H3/t17-/m1/s1
InChIKeyXGXUYRWJOSANNW-QGZVFWFLSA-N
XLogP2.21
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
CID 159765233
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 91777381
N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125447753
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
(2,3-difluoro-6-methoxyphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70748748
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 134793006
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate (CID 97192692) is methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@@H]1C(=O)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is XGXUYRWJOSANNW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-19(24)22-10-3-2-6-17(22)18(23)21-11-7-16(8-12-21)26-14-15-5-4-9-20-13-15/h4-5,9,13,16-17H,2-3,6-8,10-12,14H2,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate?
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 97192692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).