cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone

C18H28N4O — CID 86797126

IUPACcyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone
SMILESCc1cccc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C18H28N4O/c1-15-5-4-8-17(20-15)19-9-10-21-11-13-22(14-12-21)18(23)16-6-2-3-7-16/h4-5,8,16H,2-3,6-7,9-14H2,1H3,(H,19,20)
InChIKeyXRBRPHYHTAWDSC-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.14
Rot. Bonds5

About cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone (PubChem CID 86797126) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone
PubChem CID86797126
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Namecyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone
SMILESCc1cccc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C18H28N4O/c1-15-5-4-8-17(20-15)19-9-10-21-11-13-22(14-12-21)18(23)16-6-2-3-7-16/h4-5,8,16H,2-3,6-7,9-14H2,1H3,(H,19,20)
InChIKeyXRBRPHYHTAWDSC-UHFFFAOYSA-N
XLogP2.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone (CID 86797126) is cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone is Cc1cccc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone?
The InChIKey is XRBRPHYHTAWDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15-5-4-8-17(20-15)19-9-10-21-11-13-22(14-12-21)18(23)16-6-2-3-7-16/h4-5,8,16H,2-3,6-7,9-14H2,1H3,(H,19,20).
What are the key properties of cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86797126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).