[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

C18H31N3O2 — CID 131902232

IUPAC[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESO=C(C1CC12CCC2)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C18H31N3O2/c22-13-12-19-8-10-20(11-9-19)15-2-6-21(7-3-15)17(23)16-14-18(16)4-1-5-18/h15-16,22H,1-14H2
InChIKeyWDOQHTFUBWXBMS-UHFFFAOYSA-N
MW321.47 g/mol
LogP0.78
Rot. Bonds4

About [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 131902232) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID131902232
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESO=C(C1CC12CCC2)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C18H31N3O2/c22-13-12-19-8-10-20(11-9-19)15-2-6-21(7-3-15)17(23)16-14-18(16)4-1-5-18/h15-16,22H,1-14H2
InChIKeyWDOQHTFUBWXBMS-UHFFFAOYSA-N
XLogP0.78
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone with MolForge

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Related Compounds

2-[2-(4-cyclobutylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propanamide
CID 91533216
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
6-azaspiro[2.5]octan-2-yl-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696224
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 3708932
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 91795995
1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79842271
2-[4-(oxan-2-yl)piperazin-1-yl]ethanol
CID 123539907
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]cyclopentan-1-one
CID 107223629

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (CID 131902232) is [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is O=C(C1CC12CCC2)N1CCC(N2CCN(CCO)CC2)CC1.
What is the InChIKey of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is WDOQHTFUBWXBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-13-12-19-8-10-20(11-9-19)15-2-6-21(7-3-15)17(23)16-14-18(16)4-1-5-18/h15-16,22H,1-14H2.
What are the key properties of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 321.47 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 131902232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).