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

C20H30N2O — CID 3600202

IUPAC[1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(CCCc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(22-15-5-2-6-16-22)19-12-8-14-21(17-19)13-7-11-18-9-3-1-4-10-18/h1,3-4,9-10,19H,2,5-8,11-17H2
InChIKeyAXULURBODNIBLP-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.34
Rot. Bonds5

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

[1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 3600202) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID3600202
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name[1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(CCCc2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(22-15-5-2-6-16-22)19-12-8-14-21(17-19)13-7-11-18-9-3-1-4-10-18/h1,3-4,9-10,19H,2,5-8,11-17H2
InChIKeyAXULURBODNIBLP-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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Related Compounds

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AI3-37156
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1-Cyclohexyl-4-(4-phenylbutanoyl)piperazine
CID 2970858
3-Phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 6467280
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
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N-(1-phenethyl-4-piperidyl)-N-phenethylpropanamide
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CID 489826

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 3600202) is [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(CCCc2ccccc2)C1)N1CCCCC1.
What is the InChIKey of [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is AXULURBODNIBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(22-15-5-2-6-16-22)19-12-8-14-21(17-19)13-7-11-18-9-3-1-4-10-18/h1,3-4,9-10,19H,2,5-8,11-17H2.
What are the key properties of [1-(3-phenylpropyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(3-phenylpropyl)piperidin-3-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-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3600202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).