methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate

C16H21N3O5 — CID 112531565

IUPACmethyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)NCc1cc(C(=O)N2CCCCC2C(=O)OC)ccn1
InChIInChI=1S/C16H21N3O5/c1-23-15(21)13-5-3-4-8-19(13)14(20)11-6-7-17-12(9-11)10-18-16(22)24-2/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,22)
InChIKeyUSQIURODBBLKEY-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.11
Rot. Bonds4

About methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate

methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate (PubChem CID 112531565) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate
PubChem CID112531565
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Namemethyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)NCc1cc(C(=O)N2CCCCC2C(=O)OC)ccn1
InChIInChI=1S/C16H21N3O5/c1-23-15(21)13-5-3-4-8-19(13)14(20)11-6-7-17-12(9-11)10-18-16(22)24-2/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,22)
InChIKeyUSQIURODBBLKEY-UHFFFAOYSA-N
XLogP1.11
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 124727916
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-[2-[(dimethylcarbamoylamino)methyl]pyridine-4-carbonyl]piperidine-3-carboxylate
CID 112531632
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate (CID 112531565) is methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate is COC(=O)NCc1cc(C(=O)N2CCCCC2C(=O)OC)ccn1.
What is the InChIKey of methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate?
The InChIKey is USQIURODBBLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-23-15(21)13-5-3-4-8-19(13)14(20)11-6-7-17-12(9-11)10-18-16(22)24-2/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,18,22).
What are the key properties of methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate?
methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(methoxycarbonylamino)methyl]pyridine-4-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 112531565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).