N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C17H27N3O2 — CID 32655988

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)n1C
InChIInChI=1S/C17H27N3O2/c1-12(2)17(22)20-9-7-14(8-10-20)16(21)18-11-15-6-5-13(3)19(15)4/h5-6,12,14H,7-11H2,1-4H3,(H,18,21)
InChIKeyZLKKOWZMFQLEGE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.84
Rot. Bonds4

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 32655988) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID32655988
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)n1C
InChIInChI=1S/C17H27N3O2/c1-12(2)17(22)20-9-7-14(8-10-20)16(21)18-11-15-6-5-13(3)19(15)4/h5-6,12,14H,7-11H2,1-4H3,(H,18,21)
InChIKeyZLKKOWZMFQLEGE-UHFFFAOYSA-N
XLogP1.84
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 32655988) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)C(C)C)CC2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ZLKKOWZMFQLEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)17(22)20-9-7-14(8-10-20)16(21)18-11-15-6-5-13(3)19(15)4/h5-6,12,14H,7-11H2,1-4H3,(H,18,21).
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32655988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).