2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C22H33N3O3 — CID 131930592

IUPAC2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O3/c23-21(27)16-24-12-8-19(9-13-24)22(28)25-14-10-18(11-15-25)20(26)7-6-17-4-2-1-3-5-17/h1-5,18-20,26H,6-16H2,(H2,23,27)
InChIKeyWXLUJIDJVOLRHT-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.42
Rot. Bonds7

About 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 131930592) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID131930592
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O3/c23-21(27)16-24-12-8-19(9-13-24)22(28)25-14-10-18(11-15-25)20(26)7-6-17-4-2-1-3-5-17/h1-5,18-20,26H,6-16H2,(H2,23,27)
InChIKeyWXLUJIDJVOLRHT-UHFFFAOYSA-N
XLogP1.42
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 135101846
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745
2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 96579249
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
(2S)-2-hydroxy-2-[1-[(2R)-2-hydroxy-4-phenylbutyl]piperidin-4-yl]acetamide
CID 129489903

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 131930592) is 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(C(=O)N2CCC(C(O)CCc3ccccc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is WXLUJIDJVOLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c23-21(27)16-24-12-8-19(9-13-24)22(28)25-14-10-18(11-15-25)20(26)7-6-17-4-2-1-3-5-17/h1-5,18-20,26H,6-16H2,(H2,23,27).
What are the key properties of 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 131930592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).