methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate

C15H23N3O3 — CID 175249504

IUPACmethyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)NC2CCN(C(C)C)CC2)c[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)18-6-4-12(5-7-18)17-14(19)11-8-13(16-9-11)15(20)21-3/h8-10,12,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyCBOWQGMQMBJUOH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds4

About methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 175249504) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
PubChem CID175249504
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)NC2CCN(C(C)C)CC2)c[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)18-6-4-12(5-7-18)17-14(19)11-8-13(16-9-11)15(20)21-3/h8-10,12,16H,4-7H2,1-3H3,(H,17,19)
InChIKeyCBOWQGMQMBJUOH-UHFFFAOYSA-N
XLogP1.40
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
CID 174520556
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
methyl 4-(cyclopentanecarbonyl)-1H-pyrrole-2-carboxylate
CID 67487545
methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-thieno[3,4-d]imidazole-4-carboxylate
CID 68616117
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
N-(1-propan-2-ylpiperidin-4-yl)-5-propylthiophene-3-carboxamide
CID 25236722

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate (CID 175249504) is methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(C(=O)NC2CCN(C(C)C)CC2)c[nH]1.
What is the InChIKey of methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is CBOWQGMQMBJUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)18-6-4-12(5-7-18)17-14(19)11-8-13(16-9-11)15(20)21-3/h8-10,12,16H,4-7H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 175249504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).