[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone

C20H30N2O — CID 883905

IUPAC[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESC[C@@H](CN1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-17(18-8-4-2-5-9-18)16-21-14-10-19(11-15-21)20(23)22-12-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3/t17-/m0/s1
InChIKeyDCEBKNITKLJTDI-KRWDZBQOSA-N
MW314.47 g/mol
LogP3.51
Rot. Bonds4

About [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 883905) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID883905
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESC[C@@H](CN1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-17(18-8-4-2-5-9-18)16-21-14-10-19(11-15-21)20(23)22-12-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3/t17-/m0/s1
InChIKeyDCEBKNITKLJTDI-KRWDZBQOSA-N
XLogP3.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40895557
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-[1-(2-phenylpropyl)piperidin-4-yl]oxyacetic acid
CID 65066046
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 883905) is [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone is C[C@@H](CN1CCC(C(=O)N2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is DCEBKNITKLJTDI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O/c1-17(18-8-4-2-5-9-18)16-21-14-10-19(11-15-21)20(23)22-12-6-3-7-13-22/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3/t17-/m0/s1.
What are the key properties of [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 314.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-phenylpropyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 883905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).