1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide

C15H27N3O2 — CID 106592610

IUPAC1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(N)=O)CC1)C1CCCC(N)C1
InChIInChI=1S/C15H27N3O2/c1-10(12-3-2-4-13(16)9-12)15(20)18-7-5-11(6-8-18)14(17)19/h10-13H,2-9,16H2,1H3,(H2,17,19)
InChIKeyDFSLBYXYOPRWNA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.86
Rot. Bonds3

About 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide

1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide (PubChem CID 106592610) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
PubChem CID106592610
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(N)=O)CC1)C1CCCC(N)C1
InChIInChI=1S/C15H27N3O2/c1-10(12-3-2-4-13(16)9-12)15(20)18-7-5-11(6-8-18)14(17)19/h10-13H,2-9,16H2,1H3,(H2,17,19)
InChIKeyDFSLBYXYOPRWNA-UHFFFAOYSA-N
XLogP0.86
TPSA89.42 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 106592881
2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 106592903
2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
CID 106593069
1-(2-amino-3-hydroxybutanoyl)piperidine-4-carboxamide
CID 153399004
1-(2-cyanopropanoyl)piperidine-4-carboxamide
CID 55207643
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106593039
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106593089
2-(4-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536501
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide (CID 106592610) is 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide is CC(C(=O)N1CCC(C(N)=O)CC1)C1CCCC(N)C1.
What is the InChIKey of 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is DFSLBYXYOPRWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(12-3-2-4-13(16)9-12)15(20)18-7-5-11(6-8-18)14(17)19/h10-13H,2-9,16H2,1H3,(H2,17,19).
What are the key properties of 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide?
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 106592610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).