N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide

C15H28N3O2+ — CID 2682143

IUPACN-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-6-5-9-18(10-12)11-14(19)17-15(20)16-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H2,16,17,19,20)/p+1/t12-/m0/s1
InChIKeyNTLKBOLVSKXUTR-LBPRGKRZSA-O
MW282.41 g/mol
LogP0.46
Rot. Bonds3

About N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide

N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2682143) has the molecular formula C15H28N3O2+ and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2682143
Molecular FormulaC15H28N3O2+
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-6-5-9-18(10-12)11-14(19)17-15(20)16-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H2,16,17,19,20)/p+1/t12-/m0/s1
InChIKeyNTLKBOLVSKXUTR-LBPRGKRZSA-O
XLogP0.46
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 2682143) is N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is C[C@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is NTLKBOLVSKXUTR-LBPRGKRZSA-O. The full InChI is InChI=1S/C15H27N3O2/c1-12-6-5-9-18(10-12)11-14(19)17-15(20)16-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H2,16,17,19,20)/p+1/t12-/m0/s1.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2682143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).