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

C15H27N3O2 — CID 2682144

IUPACN-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(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)/t12-/m0/s1
InChIKeyNTLKBOLVSKXUTR-LBPRGKRZSA-N
MW281.40 g/mol
LogP1.88
Rot. Bonds3

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

N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2682144) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID2682144
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(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)/t12-/m0/s1
InChIKeyNTLKBOLVSKXUTR-LBPRGKRZSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 2682144) is N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is C[C@H]1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is NTLKBOLVSKXUTR-LBPRGKRZSA-N. 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)/t12-/m0/s1.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2682144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).