(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone

C17H31N3O2 — CID 136532653

IUPAC(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CCN(C(=O)C3(O)CCC3)CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-14(2)18-10-12-19(13-11-18)15-4-8-20(9-5-15)16(21)17(22)6-3-7-17/h14-15,22H,3-13H2,1-2H3
InChIKeyBQLHWDRMJVMSCG-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.92
Rot. Bonds3

About (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone

(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone (PubChem CID 136532653) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
PubChem CID136532653
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CCN(C(=O)C3(O)CCC3)CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-14(2)18-10-12-19(13-11-18)15-4-8-20(9-5-15)16(21)17(22)6-3-7-17/h14-15,22H,3-13H2,1-2H3
InChIKeyBQLHWDRMJVMSCG-UHFFFAOYSA-N
XLogP0.92
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
CID 68573955
2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
CID 114820667
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone (CID 136532653) is (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone is CC(C)N1CCN(C2CCN(C(=O)C3(O)CCC3)CC2)CC1.
What is the InChIKey of (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
The InChIKey is BQLHWDRMJVMSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-14(2)18-10-12-19(13-11-18)15-4-8-20(9-5-15)16(21)17(22)6-3-7-17/h14-15,22H,3-13H2,1-2H3.
What are the key properties of (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone?
(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone has a molecular weight of 309.45 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136532653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).