3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide

C19H24N2O2S — CID 110882838

IUPAC3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
SMILESO=C(CCN1CCC(O)CC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C19H24N2O2S/c22-16-8-11-21(12-9-16)13-10-18(23)20-19(17-7-4-14-24-17)15-5-2-1-3-6-15/h1-7,14,16,19,22H,8-13H2,(H,20,23)
InChIKeyRVEWLKVBUFIQKJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds6

About 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide

3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide (PubChem CID 110882838) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
PubChem CID110882838
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
SMILESO=C(CCN1CCC(O)CC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C19H24N2O2S/c22-16-8-11-21(12-9-16)13-10-18(23)20-19(17-7-4-14-24-17)15-5-2-1-3-6-15/h1-7,14,16,19,22H,8-13H2,(H,20,23)
InChIKeyRVEWLKVBUFIQKJ-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 86895496
1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908286
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 111123159
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide
CID 122555886
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 120775231
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526502

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide (CID 110882838) is 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide is O=C(CCN1CCC(O)CC1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide?
The InChIKey is RVEWLKVBUFIQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-16-8-11-21(12-9-16)13-10-18(23)20-19(17-7-4-14-24-17)15-5-2-1-3-6-15/h1-7,14,16,19,22H,8-13H2,(H,20,23).
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide?
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide has a molecular weight of 344.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 110882838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).