N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide

C17H27N3O3 — CID 75433983

IUPACN-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc[nH]1)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C17H27N3O3/c1-12(2)10-15(19-16(22)14-4-3-7-18-14)17(23)20-8-5-13(11-21)6-9-20/h3-4,7,12-13,15,18,21H,5-6,8-11H2,1-2H3,(H,19,22)
InChIKeyDURQDBHZURNXSU-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.39
Rot. Bonds6

About N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide

N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 75433983) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID75433983
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc[nH]1)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C17H27N3O3/c1-12(2)10-15(19-16(22)14-4-3-7-18-14)17(23)20-8-5-13(11-21)6-9-20/h3-4,7,12-13,15,18,21H,5-6,8-11H2,1-2H3,(H,19,22)
InChIKeyDURQDBHZURNXSU-UHFFFAOYSA-N
XLogP1.39
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide (CID 75433983) is N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide is CC(C)CC(NC(=O)c1ccc[nH]1)C(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DURQDBHZURNXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)10-15(19-16(22)14-4-3-7-18-14)17(23)20-8-5-13(11-21)6-9-20/h3-4,7,12-13,15,18,21H,5-6,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide?
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75433983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).