1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide

C15H30N4O — CID 70100565

IUPAC1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide
SMILESC[C@@H]1CN(C)C[C@H](C)N1CCN1CCCCC1C(N)=O
InChIInChI=1S/C15H30N4O/c1-12-10-17(3)11-13(2)19(12)9-8-18-7-5-4-6-14(18)15(16)20/h12-14H,4-11H2,1-3H3,(H2,16,20)/t12-,13+,14?
InChIKeyWGZHGJISDDGPQM-PBWFPOADSA-N
MW282.43 g/mol
LogP0.35
Rot. Bonds4

About 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide

1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide (PubChem CID 70100565) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide
PubChem CID70100565
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide
SMILESC[C@@H]1CN(C)C[C@H](C)N1CCN1CCCCC1C(N)=O
InChIInChI=1S/C15H30N4O/c1-12-10-17(3)11-13(2)19(12)9-8-18-7-5-4-6-14(18)15(16)20/h12-14H,4-11H2,1-3H3,(H2,16,20)/t12-,13+,14?
InChIKeyWGZHGJISDDGPQM-PBWFPOADSA-N
XLogP0.35
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4,6-trimethylpiperazin-1-yl)ethyl]piperidine-2-carboxamide
CID 70100566
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
1-(4-amino-3,3-dimethyl-4-sulfanylidenebutyl)piperidine-2-carboxamide
CID 65249374
1-[2-(azetidin-3-yl)ethyl]piperidine-2-carboxamide
CID 107390902
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-butylpyrrolidine-2-carboxamide
CID 19388617
1-[2-(2-oxocyclopentyl)ethyl]piperidine-2-carboxamide
CID 79568666
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
1-(4-amino-3,3-dimethyl-4-sulfanylidenebutyl)pyrrolidine-2-carboxamide
CID 65247183
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
ethane;1-methylpiperidine-2-carboxamide
CID 143592848

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide (CID 70100565) is 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide is C[C@@H]1CN(C)C[C@H](C)N1CCN1CCCCC1C(N)=O.
What is the InChIKey of 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide?
The InChIKey is WGZHGJISDDGPQM-PBWFPOADSA-N. The full InChI is InChI=1S/C15H30N4O/c1-12-10-17(3)11-13(2)19(12)9-8-18-7-5-4-6-14(18)15(16)20/h12-14H,4-11H2,1-3H3,(H2,16,20)/t12-,13+,14?.
What are the key properties of 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide?
1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 70100565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).