N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide

C15H27N3O2 — CID 119301801

IUPACN-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)C2(N)CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12(19)17-10-13-6-5-9-18(11-13)14(20)15(16)7-3-2-4-8-15/h13H,2-11,16H2,1H3,(H,17,19)
InChIKeyAFGLFFLJAVURAV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds3

About N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide

N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide (PubChem CID 119301801) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
PubChem CID119301801
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(C(=O)C2(N)CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12(19)17-10-13-6-5-9-18(11-13)14(20)15(16)7-3-2-4-8-15/h13H,2-11,16H2,1H3,(H,17,19)
InChIKeyAFGLFFLJAVURAV-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
N-[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119288778
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314564
N-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]acetamide
CID 139656045
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807799
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide (CID 119301801) is N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(C(=O)C2(N)CCCCC2)C1.
What is the InChIKey of N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is AFGLFFLJAVURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(19)17-10-13-6-5-9-18(11-13)14(20)15(16)7-3-2-4-8-15/h13H,2-11,16H2,1H3,(H,17,19).
What are the key properties of N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 119301801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).