methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate

C18H20ClN3O4 — CID 55816186

IUPACmethyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C18H20ClN3O4/c1-25-18(24)14-6-8-26-15(14)11-22-7-2-3-12(10-22)17(23)21-16-5-4-13(19)9-20-16/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,20,21,23)
InChIKeyLEOWMVAXXZWOGO-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate

methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 55816186) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
PubChem CID55816186
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Namemethyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C18H20ClN3O4/c1-25-18(24)14-6-8-26-15(14)11-22-7-2-3-12(10-22)17(23)21-16-5-4-13(19)9-20-16/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,20,21,23)
InChIKeyLEOWMVAXXZWOGO-UHFFFAOYSA-N
XLogP2.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 55995549
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995286
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate (CID 55816186) is methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is LEOWMVAXXZWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-25-18(24)14-6-8-26-15(14)11-22-7-2-3-12(10-22)17(23)21-16-5-4-13(19)9-20-16/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,20,21,23).
What are the key properties of methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate?
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 377.83 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 55816186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).