1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one

C26H34N4O2 — CID 11539337

IUPAC1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCC4)cc3)C2=O)CC1
InChIInChI=1S/C26H34N4O2/c1-28-15-17-29(18-16-28)24-20(5-2-13-27-24)19-21-6-3-14-30(25(21)31)23-9-7-22(8-10-23)26(32)11-4-12-26/h2,5,7-10,13,21,32H,3-4,6,11-12,14-19H2,1H3
InChIKeyUPCUIOJNOZGYFF-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one

1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one (PubChem CID 11539337) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
PubChem CID11539337
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCC4)cc3)C2=O)CC1
InChIInChI=1S/C26H34N4O2/c1-28-15-17-29(18-16-28)24-20(5-2-13-27-24)19-21-6-3-14-30(25(21)31)23-9-7-22(8-10-23)26(32)11-4-12-26/h2,5,7-10,13,21,32H,3-4,6,11-12,14-19H2,1H3
InChIKeyUPCUIOJNOZGYFF-UHFFFAOYSA-N
XLogP3.19
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one (CID 11539337) is 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one is CN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCC4)cc3)C2=O)CC1.
What is the InChIKey of 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The InChIKey is UPCUIOJNOZGYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-28-15-17-29(18-16-28)24-20(5-2-13-27-24)19-21-6-3-14-30(25(21)31)23-9-7-22(8-10-23)26(32)11-4-12-26/h2,5,7-10,13,21,32H,3-4,6,11-12,14-19H2,1H3.
What are the key properties of 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one has a molecular weight of 434.58 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxycyclobutyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 11539337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).