4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide

C17H33N3O — CID 90953517

IUPAC4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1CCCCC1CCNC(C(N)=O)C1
InChIInChI=1S/C17H33N3O/c1-13-6-5-7-14(2)20(13)11-4-3-8-15-9-10-19-16(12-15)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13-,14-,15?,16?/m0/s1
InChIKeyGDRAYWRJIWJRFK-FXQLRMTLSA-N
MW295.47 g/mol
LogP2.27
Rot. Bonds6

About 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide

4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide (PubChem CID 90953517) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
PubChem CID90953517
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1CCCCC1CCNC(C(N)=O)C1
InChIInChI=1S/C17H33N3O/c1-13-6-5-7-14(2)20(13)11-4-3-8-15-9-10-19-16(12-15)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13-,14-,15?,16?/m0/s1
InChIKeyGDRAYWRJIWJRFK-FXQLRMTLSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
The IUPAC name of 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide (CID 90953517) is 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
The canonical SMILES for 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide is C[C@H]1CCC[C@H](C)N1CCCCC1CCNC(C(N)=O)C1.
What is the InChIKey of 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
The InChIKey is GDRAYWRJIWJRFK-FXQLRMTLSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13-6-5-7-14(2)20(13)11-4-3-8-15-9-10-19-16(12-15)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13-,14-,15?,16?/m0/s1.
What are the key properties of 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide?
4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide is sourced from PubChem (CID 90953517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).