(4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone

C18H28N4O — CID 75427028

IUPAC(4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone
SMILESCc1ccc(CNC2(C(=O)N3CCN(C)CC3)CCCC2)nc1
InChIInChI=1S/C18H28N4O/c1-15-5-6-16(19-13-15)14-20-18(7-3-4-8-18)17(23)22-11-9-21(2)10-12-22/h5-6,13,20H,3-4,7-12,14H2,1-2H3
InChIKeyHGCDIABMGPXFLU-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.57
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone

(4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone (PubChem CID 75427028) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone
PubChem CID75427028
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone
SMILESCc1ccc(CNC2(C(=O)N3CCN(C)CC3)CCCC2)nc1
InChIInChI=1S/C18H28N4O/c1-15-5-6-16(19-13-15)14-20-18(7-3-4-8-18)17(23)22-11-9-21(2)10-12-22/h5-6,13,20H,3-4,7-12,14H2,1-2H3
InChIKeyHGCDIABMGPXFLU-UHFFFAOYSA-N
XLogP1.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone (CID 75427028) is (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone is Cc1ccc(CNC2(C(=O)N3CCN(C)CC3)CCCC2)nc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone?
The InChIKey is HGCDIABMGPXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15-5-6-16(19-13-15)14-20-18(7-3-4-8-18)17(23)22-11-9-21(2)10-12-22/h5-6,13,20H,3-4,7-12,14H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone?
(4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone has a molecular weight of 316.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-[(5-methyl-2-pyridinyl)methylamino]cyclopentyl]methanone is sourced from PubChem (CID 75427028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).