(2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone

C13H24N2O — CID 23646030

IUPAC(2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone
SMILESN[C@H](C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h11-12H,1-10,14H2/t12-/m0/s1
InChIKeyVDESQGCBPRUBON-LBPRGKRZSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone

(2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone (PubChem CID 23646030) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone
PubChem CID23646030
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone
SMILESN[C@H](C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h11-12H,1-10,14H2/t12-/m0/s1
InChIKeyVDESQGCBPRUBON-LBPRGKRZSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
Pexantel
CID 667497
Chg-Pro-CN
CID 11075394
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
N,3-dicyclohexylpropanamide
CID 759108
3-Cyclopentyl-1-(piperazin-1-yl)propan-1-one
CID 767567
N,2-dicyclohexylacetamide
CID 880907
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
Cyclohexyl(4-cyclohexylpiperazin-1-yl)methanone
CID 17249078
(S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl)-ethanone
CID 44403068
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-1-yl)-ethanone
CID 44403069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone (CID 23646030) is (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone is N[C@H](C(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone?
The InChIKey is VDESQGCBPRUBON-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h11-12H,1-10,14H2/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone?
(2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 23646030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).