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

C12H23N3O2 — CID 107221527

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H23N3O2/c16-11-4-2-1-3-10(11)14-12(17)9-15-7-5-13-6-8-15/h10-11,13,16H,1-9H2,(H,14,17)/t10-,11-/m0/s1
InChIKeyMVHUFDKCZNMSLB-QWRGUYRKSA-N
MW241.33 g/mol
LogP-0.69
Rot. Bonds3

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

N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide (PubChem CID 107221527) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
PubChem CID107221527
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H23N3O2/c16-11-4-2-1-3-10(11)14-12(17)9-15-7-5-13-6-8-15/h10-11,13,16H,1-9H2,(H,14,17)/t10-,11-/m0/s1
InChIKeyMVHUFDKCZNMSLB-QWRGUYRKSA-N
XLogP-0.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265
N-(2-hydroxycycloheptyl)-2-piperidin-4-ylacetamide
CID 113394752
N-(2-hydroxycyclopentyl)piperazine-1-carboxamide
CID 77323338
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 107222046
N-(3-ethyl-2-methylcyclopentyl)-2-piperazin-1-ylacetamide
CID 64921967
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088
2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 62839359
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
CID 66990087

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide (CID 107221527) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide?
The InChIKey is MVHUFDKCZNMSLB-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-11-4-2-1-3-10(11)14-12(17)9-15-7-5-13-6-8-15/h10-11,13,16H,1-9H2,(H,14,17)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide has a molecular weight of 241.33 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 107221527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).