N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide

C17H21N3O2 — CID 69071575

IUPACN-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCC(Oc2cccc(NC(=O)c3ccc[nH]3)c2)CC1
InChIInChI=1S/C17H21N3O2/c1-20-10-7-14(8-11-20)22-15-5-2-4-13(12-15)19-17(21)16-6-3-9-18-16/h2-6,9,12,14,18H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyLMFLPQDLVLIYCW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.74
Rot. Bonds4

About N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide

N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide (PubChem CID 69071575) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
PubChem CID69071575
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
SMILESCN1CCC(Oc2cccc(NC(=O)c3ccc[nH]3)c2)CC1
InChIInChI=1S/C17H21N3O2/c1-20-10-7-14(8-11-20)22-15-5-2-4-13(12-15)19-17(21)16-6-3-9-18-16/h2-6,9,12,14,18H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyLMFLPQDLVLIYCW-UHFFFAOYSA-N
XLogP2.74
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide (CID 69071575) is N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide is CN1CCC(Oc2cccc(NC(=O)c3ccc[nH]3)c2)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LMFLPQDLVLIYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-10-7-14(8-11-20)22-15-5-2-4-13(12-15)19-17(21)16-6-3-9-18-16/h2-6,9,12,14,18H,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide?
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 69071575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).