2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide

C14H27N3O — CID 62781090

IUPAC2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CC2CCC(N)CC2)C1
InChIInChI=1S/C14H27N3O/c1-17-8-2-3-13(10-17)16-14(18)9-11-4-6-12(15)7-5-11/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyXOLKVQQUOFOYMD-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.10
Rot. Bonds3

About 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide

2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide (PubChem CID 62781090) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide
PubChem CID62781090
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CC2CCC(N)CC2)C1
InChIInChI=1S/C14H27N3O/c1-17-8-2-3-13(10-17)16-14(18)9-11-4-6-12(15)7-5-11/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyXOLKVQQUOFOYMD-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(1-methylpiperidin-3-yl)acetamide
CID 110848024
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
2-(4-aminocyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 62781685
4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-(tert-butylamino)-N-(1-methylpiperidin-3-yl)acetamide
CID 78986831
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
N-(3-aminocyclohexyl)-2-cyclopropylacetamide
CID 83619282
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide (CID 62781090) is 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(NC(=O)CC2CCC(N)CC2)C1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is XOLKVQQUOFOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-17-8-2-3-13(10-17)16-14(18)9-11-4-6-12(15)7-5-11/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide?
2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 62781090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).