methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate

C20H27FN2O3 — CID 97201426

IUPACmethyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C20H27FN2O3/c1-26-20(25)23-11-5-4-8-18(23)19(24)22-12-9-15(10-13-22)14-16-6-2-3-7-17(16)21/h2-3,6-7,15,18H,4-5,8-14H2,1H3/t18-/m1/s1
InChIKeyARUINDAIVRCPOZ-GOSISDBHSA-N
MW362.45 g/mol
LogP3.23
Rot. Bonds3

About methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate

methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 97201426) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID97201426
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Namemethyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C20H27FN2O3/c1-26-20(25)23-11-5-4-8-18(23)19(24)22-12-9-15(10-13-22)14-16-6-2-3-7-17(16)21/h2-3,6-7,15,18H,4-5,8-14H2,1H3/t18-/m1/s1
InChIKeyARUINDAIVRCPOZ-GOSISDBHSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 134793006
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 120989635
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
methyl 2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)piperidine-1-carboxylate
CID 72885038
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 167932463
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 90648666

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate (CID 97201426) is methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2F)CC1.
What is the InChIKey of methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is ARUINDAIVRCPOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-26-20(25)23-11-5-4-8-18(23)19(24)22-12-9-15(10-13-22)14-16-6-2-3-7-17(16)21/h2-3,6-7,15,18H,4-5,8-14H2,1H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate?
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 97201426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).