3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide

C18H27ClN2O2 — CID 109379709

IUPAC3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide
SMILESCC(Cc1ccccc1Cl)C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C18H27ClN2O2/c1-14(13-15-5-2-3-6-17(15)19)18(23)20-9-4-10-21-11-7-16(22)8-12-21/h2-3,5-6,14,16,22H,4,7-13H2,1H3,(H,20,23)
InChIKeySVRHKVQLNLIUGA-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.48
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide

3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide (PubChem CID 109379709) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide
PubChem CID109379709
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide
SMILESCC(Cc1ccccc1Cl)C(=O)NCCCN1CCC(O)CC1
InChIInChI=1S/C18H27ClN2O2/c1-14(13-15-5-2-3-6-17(15)19)18(23)20-9-4-10-21-11-7-16(22)8-12-21/h2-3,5-6,14,16,22H,4,7-13H2,1H3,(H,20,23)
InChIKeySVRHKVQLNLIUGA-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.48
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

3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 109378493
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
1-[(2-chlorophenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 28574520
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide (CID 109379709) is 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide is CC(Cc1ccccc1Cl)C(=O)NCCCN1CCC(O)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide?
The InChIKey is SVRHKVQLNLIUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-14(13-15-5-2-3-6-17(15)19)18(23)20-9-4-10-21-11-7-16(22)8-12-21/h2-3,5-6,14,16,22H,4,7-13H2,1H3,(H,20,23).
What are the key properties of 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide?
3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide has a molecular weight of 338.88 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpropanamide is sourced from PubChem (CID 109379709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).