(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide

C12H23N3O2 — CID 66879332

IUPAC(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide
SMILESNC(=O)[C@H](C1CCC(O)CC1)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c13-12(17)11(15-7-5-14-6-8-15)9-1-3-10(16)4-2-9/h9-11,14,16H,1-8H2,(H2,13,17)/t9?,10?,11-/m0/s1
InChIKeyVAIDYONZXOHLQP-ILDUYXDCSA-N
MW241.33 g/mol
LogP-0.70
Rot. Bonds3

About (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide

(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide (PubChem CID 66879332) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide
PubChem CID66879332
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide
SMILESNC(=O)[C@H](C1CCC(O)CC1)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c13-12(17)11(15-7-5-14-6-8-15)9-1-3-10(16)4-2-9/h9-11,14,16H,1-8H2,(H2,13,17)/t9?,10?,11-/m0/s1
InChIKeyVAIDYONZXOHLQP-ILDUYXDCSA-N
XLogP-0.70
TPSA78.59 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 ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide?
The IUPAC name of (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide (CID 66879332) is (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide is NC(=O)[C@H](C1CCC(O)CC1)N1CCNCC1.
What is the InChIKey of (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide?
The InChIKey is VAIDYONZXOHLQP-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-12(17)11(15-7-5-14-6-8-15)9-1-3-10(16)4-2-9/h9-11,14,16H,1-8H2,(H2,13,17)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide?
(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide has a molecular weight of 241.33 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 66879332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).