(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide

C15H29N3O2 — CID 9430972

IUPAC(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@H]1C[C@H](C)CN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-10-7-11(2)9-18(8-10)12(3)13(19)16-14(20)17-15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,17,19,20)/t10-,11-,12-/m0/s1
InChIKeyLBFHCHWNAWAMEA-SRVKXCTJSA-N
MW283.42 g/mol
LogP1.98
Rot. Bonds2

About (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide

(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 9430972) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID9430972
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESC[C@H]1C[C@H](C)CN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C15H29N3O2/c1-10-7-11(2)9-18(8-10)12(3)13(19)16-14(20)17-15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,17,19,20)/t10-,11-,12-/m0/s1
InChIKeyLBFHCHWNAWAMEA-SRVKXCTJSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide (CID 9430972) is (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide is C[C@H]1C[C@H](C)CN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1.
What is the InChIKey of (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is LBFHCHWNAWAMEA-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10-7-11(2)9-18(8-10)12(3)13(19)16-14(20)17-15(4,5)6/h10-12H,7-9H2,1-6H3,(H2,16,17,19,20)/t10-,11-,12-/m0/s1.
What are the key properties of (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9430972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).