3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide

C14H23N3O — CID 106390878

IUPAC3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
SMILESCn1ccc(CNC(=O)C2NCCCC2(C)C)c1
InChIInChI=1S/C14H23N3O/c1-14(2)6-4-7-15-12(14)13(18)16-9-11-5-8-17(3)10-11/h5,8,10,12,15H,4,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPMWOUMURKSCNMX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.42
Rot. Bonds3

About 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide

3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide (PubChem CID 106390878) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
PubChem CID106390878
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
SMILESCn1ccc(CNC(=O)C2NCCCC2(C)C)c1
InChIInChI=1S/C14H23N3O/c1-14(2)6-4-7-15-12(14)13(18)16-9-11-5-8-17(3)10-11/h5,8,10,12,15H,4,6-7,9H2,1-3H3,(H,16,18)
InChIKeyPMWOUMURKSCNMX-UHFFFAOYSA-N
XLogP1.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide (CID 106390878) is 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide is Cn1ccc(CNC(=O)C2NCCCC2(C)C)c1.
What is the InChIKey of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide?
The InChIKey is PMWOUMURKSCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2)6-4-7-15-12(14)13(18)16-9-11-5-8-17(3)10-11/h5,8,10,12,15H,4,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide?
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 106390878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).