1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide

C13H23N3O2 — CID 55177939

IUPAC1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
SMILESCC1(C(=O)N2CCCCC2C(N)=O)CCNCC1
InChIInChI=1S/C13H23N3O2/c1-13(5-7-15-8-6-13)12(18)16-9-3-2-4-10(16)11(14)17/h10,15H,2-9H2,1H3,(H2,14,17)
InChIKeyJDPFMWMWQMRVSB-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.24
Rot. Bonds2

About 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide

1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide (PubChem CID 55177939) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
PubChem CID55177939
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
SMILESCC1(C(=O)N2CCCCC2C(N)=O)CCNCC1
InChIInChI=1S/C13H23N3O2/c1-13(5-7-15-8-6-13)12(18)16-9-3-2-4-10(16)11(14)17/h10,15H,2-9H2,1H3,(H2,14,17)
InChIKeyJDPFMWMWQMRVSB-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide (CID 55177939) is 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide is CC1(C(=O)N2CCCCC2C(N)=O)CCNCC1.
What is the InChIKey of 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is JDPFMWMWQMRVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(5-7-15-8-6-13)12(18)16-9-3-2-4-10(16)11(14)17/h10,15H,2-9H2,1H3,(H2,14,17).
What are the key properties of 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide?
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55177939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).