5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one

C16H30N2O — CID 79866688

IUPAC5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCC(C)N1CCN(CC2CCC(C)(C)C2=O)CC1
InChIInChI=1S/C16H30N2O/c1-5-13(2)18-10-8-17(9-11-18)12-14-6-7-16(3,4)15(14)19/h13-14H,5-12H2,1-4H3
InChIKeyPDAJWZFSQSPLQV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds4

About 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one

5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79866688) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79866688
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCC(C)N1CCN(CC2CCC(C)(C)C2=O)CC1
InChIInChI=1S/C16H30N2O/c1-5-13(2)18-10-8-17(9-11-18)12-14-6-7-16(3,4)15(14)19/h13-14H,5-12H2,1-4H3
InChIKeyPDAJWZFSQSPLQV-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one (CID 79866688) is 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one is CCC(C)N1CCN(CC2CCC(C)(C)C2=O)CC1.
What is the InChIKey of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is PDAJWZFSQSPLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-13(2)18-10-8-17(9-11-18)12-14-6-7-16(3,4)15(14)19/h13-14H,5-12H2,1-4H3.
What are the key properties of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one?
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79866688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).