(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide

C12H24N2O — CID 7393137

IUPAC(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C12H24N2O/c1-5-13(6-2)12(15)14-8-10(3)7-11(4)9-14/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyGTVUMRKCLOXJLX-QWRGUYRKSA-N
MW212.34 g/mol
LogP2.43
Rot. Bonds2

About (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide

(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 7393137) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
PubChem CID7393137
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C12H24N2O/c1-5-13(6-2)12(15)14-8-10(3)7-11(4)9-14/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyGTVUMRKCLOXJLX-QWRGUYRKSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide (CID 7393137) is (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide is CCN(CC)C(=O)N1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is GTVUMRKCLOXJLX-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-13(6-2)12(15)14-8-10(3)7-11(4)9-14/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide?
(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 7393137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).