methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate

C15H23N3O3 — CID 174520556

IUPACmethyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)18-8-6-11(7-9-18)16-14(19)12-4-5-13(17-12)15(20)21-3/h4-5,10-11,17H,6-9H2,1-3H3,(H,16,19)
InChIKeyVEVQGOBVERVSQE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds4

About methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate

methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 174520556) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
PubChem CID174520556
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)18-8-6-11(7-9-18)16-14(19)12-4-5-13(17-12)15(20)21-3/h4-5,10-11,17H,6-9H2,1-3H3,(H,16,19)
InChIKeyVEVQGOBVERVSQE-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 4-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
CID 175249504
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-thieno[3,4-d]imidazole-4-carboxylate
CID 68616117
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-thieno[3,4-d]imidazole-4-carboxylate;1-propan-2-ylpiperidin-4-amine;dihydrochloride
CID 157076947
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate (CID 174520556) is methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)[nH]1.
What is the InChIKey of methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is VEVQGOBVERVSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)18-8-6-11(7-9-18)16-14(19)12-4-5-13(17-12)15(20)21-3/h4-5,10-11,17H,6-9H2,1-3H3,(H,16,19).
What are the key properties of methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate?
methyl 5-[(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 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 174520556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).