N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide

C13H25N3O — CID 28881157

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-4-2-3-5-12(11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyVADNNDPBXVAQTI-RYUDHWBXSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds3

About N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide

N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide (PubChem CID 28881157) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
PubChem CID28881157
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-11-4-2-3-5-12(11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyVADNNDPBXVAQTI-RYUDHWBXSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
CID 66990087
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
CID 107221527
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265
N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide
CID 64921967
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904053

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide (CID 28881157) is N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide is C[C@H]1CCCC[C@@H]1NC(=O)CN1CCNCC1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide?
The InChIKey is VADNNDPBXVAQTI-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11-4-2-3-5-12(11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28881157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).