2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one

C15H26N2O — CID 63009114

IUPAC2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
SMILESO=C1CCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H26N2O/c18-15-5-3-4-14(15)17-10-6-13(7-11-17)12-16-8-1-2-9-16/h13-14H,1-12H2
InChIKeyKMWZCNNLAWACFX-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one

2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one (PubChem CID 63009114) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
PubChem CID63009114
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
SMILESO=C1CCCC1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H26N2O/c18-15-5-3-4-14(15)17-10-6-13(7-11-17)12-16-8-1-2-9-16/h13-14H,1-12H2
InChIKeyKMWZCNNLAWACFX-UHFFFAOYSA-N
XLogP1.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one?
The IUPAC name of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one (CID 63009114) is 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one?
The canonical SMILES for 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one is O=C1CCCC1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one?
The InChIKey is KMWZCNNLAWACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15-5-3-4-14(15)17-10-6-13(7-11-17)12-16-8-1-2-9-16/h13-14H,1-12H2.
What are the key properties of 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one?
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one has a molecular weight of 250.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one is sourced from PubChem (CID 63009114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).