methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate

C12H17N3O3 — CID 61107734

IUPACmethyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-4-2-3-5-15(10)11(16)9-6-8(13)7-14-9/h6-7,10,14H,2-5,13H2,1H3
InChIKeyDSRQMGRBNOHQTP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.76
Rot. Bonds2

About methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate

methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate (PubChem CID 61107734) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
PubChem CID61107734
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H17N3O3/c1-18-12(17)10-4-2-3-5-15(10)11(16)9-6-8(13)7-14-9/h6-7,10,14H,2-5,13H2,1H3
InChIKeyDSRQMGRBNOHQTP-UHFFFAOYSA-N
XLogP0.76
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
methyl 1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 64539500
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736
methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 115280207
ethyl 1-(4-nitro-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate
CID 115279610
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl 1-(3-amino-2,5-difluorobenzoyl)piperidine-2-carboxylate
CID 107120672
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate (CID 61107734) is methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cc(N)c[nH]1.
What is the InChIKey of methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is DSRQMGRBNOHQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)10-4-2-3-5-15(10)11(16)9-6-8(13)7-14-9/h6-7,10,14H,2-5,13H2,1H3.
What are the key properties of methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate?
methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-1H-pyrrole-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 61107734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).