[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone

C20H30N2O — CID 883907

IUPAC[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2
InChIKeyRBCQPZCZAKIOMH-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.34
Rot. Bonds5

About [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 883907) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID883907
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCN(CCCc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2
InChIKeyRBCQPZCZAKIOMH-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 883907) is [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone is O=C(C1CCN(CCCc2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is RBCQPZCZAKIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(22-14-5-2-6-15-22)19-11-16-21(17-12-19)13-7-10-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2.
What are the key properties of [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 314.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylpropyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 883907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).