(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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Related Compounds

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CID 72551298
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CID 91810435
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CID 3113972
CID 3113972
CID 65975
CID 65975
CID 23646451
CID 23646451
CID 3025824
CID 3025824
CID 10425450
CID 10425450
CID 23647130
CID 23647130
CID 146970182
CID 146970182
CID 11346439
CID 11346439

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).