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

C27H36N4O2 — CID 11496083

IUPAC1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-29-16-18-30(19-17-29)25-21(6-4-14-28-25)20-22-7-5-15-31(26(22)32)24-10-8-23(9-11-24)27(33)12-2-3-13-27/h4,6,8-11,14,22,33H,2-3,5,7,12-13,15-20H2,1H3
InChIKeyWYSULXXVNQSBDI-UHFFFAOYSA-N
MW448.61 g/mol
LogP3.58
Rot. Bonds5

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

1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one (PubChem CID 11496083) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
PubChem CID11496083
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-29-16-18-30(19-17-29)25-21(6-4-14-28-25)20-22-7-5-15-31(26(22)32)24-10-8-23(9-11-24)27(33)12-2-3-13-27/h4,6,8-11,14,22,33H,2-3,5,7,12-13,15-20H2,1H3
InChIKeyWYSULXXVNQSBDI-UHFFFAOYSA-N
XLogP3.58
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one (CID 11496083) is 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one is CN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1.
What is the InChIKey of 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
The InChIKey is WYSULXXVNQSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-29-16-18-30(19-17-29)25-21(6-4-14-28-25)20-22-7-5-15-31(26(22)32)24-10-8-23(9-11-24)27(33)12-2-3-13-27/h4,6,8-11,14,22,33H,2-3,5,7,12-13,15-20H2,1H3.
What are the key properties of 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one?
1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one has a molecular weight of 448.61 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxycyclopentyl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 11496083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).