(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide

C9H17N3O2 — CID 96839594

IUPAC(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CNC[C@@H](NC(C)=O)C1
InChIInChI=1S/C9H17N3O2/c1-6(13)12-8-3-7(4-11-5-8)9(14)10-2/h7-8,11H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-,8+/m1/s1
InChIKeyYVKLIEBRNFQUOD-SFYZADRCSA-N
MW199.25 g/mol
LogP-1.15
Rot. Bonds2

About (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide

(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide (PubChem CID 96839594) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide
PubChem CID96839594
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CNC[C@@H](NC(C)=O)C1
InChIInChI=1S/C9H17N3O2/c1-6(13)12-8-3-7(4-11-5-8)9(14)10-2/h7-8,11H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-,8+/m1/s1
InChIKeyYVKLIEBRNFQUOD-SFYZADRCSA-N
XLogP-1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide (CID 96839594) is (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide is CNC(=O)[C@H]1CNC[C@@H](NC(C)=O)C1.
What is the InChIKey of (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide?
The InChIKey is YVKLIEBRNFQUOD-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(13)12-8-3-7(4-11-5-8)9(14)10-2/h7-8,11H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide?
(3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-acetamido-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 96839594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).