2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide

C14H28N4O — CID 79458461

IUPAC2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2CCCC(N)C2)CC1
InChIInChI=1S/C14H28N4O/c1-16-14(19)10-18-7-5-12(6-8-18)17-13-4-2-3-11(15)9-13/h11-13,17H,2-10,15H2,1H3,(H,16,19)
InChIKeyLVOSVGGTDPUOSL-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.06
Rot. Bonds4

About 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide

2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 79458461) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
PubChem CID79458461
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2CCCC(N)C2)CC1
InChIInChI=1S/C14H28N4O/c1-16-14(19)10-18-7-5-12(6-8-18)17-13-4-2-3-11(15)9-13/h11-13,17H,2-10,15H2,1H3,(H,16,19)
InChIKeyLVOSVGGTDPUOSL-UHFFFAOYSA-N
XLogP0.06
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 64595857
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
N-methyl-2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]piperidin-1-yl]acetamide
CID 43691453
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 79458862
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
CID 82853286
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide (CID 79458461) is 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC2CCCC(N)C2)CC1.
What is the InChIKey of 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is LVOSVGGTDPUOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-16-14(19)10-18-7-5-12(6-8-18)17-13-4-2-3-11(15)9-13/h11-13,17H,2-10,15H2,1H3,(H,16,19).
What are the key properties of 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 268.40 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 79458461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).