(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone

C16H22N2O — CID 21366931

IUPAC(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-12-4-5-13-18)14-6-8-15(9-7-14)17-10-2-1-3-11-17/h6-9H,1-5,10-13H2
InChIKeyBXIHDADQIUEHKQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.91
Rot. Bonds2

About (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone

(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 21366931) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID21366931
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCCCC2)cc1)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-12-4-5-13-18)14-6-8-15(9-7-14)17-10-2-1-3-11-17/h6-9H,1-5,10-13H2
InChIKeyBXIHDADQIUEHKQ-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone (CID 21366931) is (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(N2CCCCC2)cc1)N1CCCC1.
What is the InChIKey of (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is BXIHDADQIUEHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-12-4-5-13-18)14-6-8-15(9-7-14)17-10-2-1-3-11-17/h6-9H,1-5,10-13H2.
What are the key properties of (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone?
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 258.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 21366931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).