2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide

C19H30N2O2 — CID 111333468

IUPAC2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCCC(O)C1CCCCN1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-2-18(22)17-12-6-7-14-21(17)15-19(23)20-13-8-11-16-9-4-3-5-10-16/h3-5,9-10,17-18,22H,2,6-8,11-15H2,1H3,(H,20,23)
InChIKeyNAOOEJRVWOTQGS-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.36
Rot. Bonds8

About 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide

2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 111333468) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID111333468
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCCC(O)C1CCCCN1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-2-18(22)17-12-6-7-14-21(17)15-19(23)20-13-8-11-16-9-4-3-5-10-16/h3-5,9-10,17-18,22H,2,6-8,11-15H2,1H3,(H,20,23)
InChIKeyNAOOEJRVWOTQGS-UHFFFAOYSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 111333456
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-phenylpropyl)acetamide
CID 8999972
N-(2,5-dimethylphenyl)-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333425
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propylacetamide
CID 111107007
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
N-benzyl-2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 111106959
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide (CID 111333468) is 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide is CCC(O)C1CCCCN1CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is NAOOEJRVWOTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-18(22)17-12-6-7-14-21(17)15-19(23)20-13-8-11-16-9-4-3-5-10-16/h3-5,9-10,17-18,22H,2,6-8,11-15H2,1H3,(H,20,23).
What are the key properties of 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxypropyl)piperidin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 111333468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).