2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide

C17H33N3O — CID 69467348

IUPAC2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide
SMILESCN[C@H](C)[C@H](CC1CCCCC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O/c1-13(19-2)15(12-14-8-4-3-5-9-14)16-10-6-7-11-20(16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13-,15+,16?/m1/s1
InChIKeyKMBYPAOVFCGDJA-YISXUXMPSA-N
MW295.47 g/mol
LogP3.11
Rot. Bonds5

About 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide

2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide (PubChem CID 69467348) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide
PubChem CID69467348
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide
SMILESCN[C@H](C)[C@H](CC1CCCCC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O/c1-13(19-2)15(12-14-8-4-3-5-9-14)16-10-6-7-11-20(16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13-,15+,16?/m1/s1
InChIKeyKMBYPAOVFCGDJA-YISXUXMPSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide (CID 69467348) is 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide is CN[C@H](C)[C@H](CC1CCCCC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is KMBYPAOVFCGDJA-YISXUXMPSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(19-2)15(12-14-8-4-3-5-9-14)16-10-6-7-11-20(16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13-,15+,16?/m1/s1.
What are the key properties of 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide?
2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69467348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).