N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide

C15H24N2O2S — CID 111429543

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCCN1CCC(O)CC1
InChIInChI=1S/C15H24N2O2S/c18-14-4-9-17(10-5-14)8-1-7-16-15(19)3-2-13-6-11-20-12-13/h6,11-12,14,18H,1-5,7-10H2,(H,16,19)
InChIKeyOETAKGLFFMKATK-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.64
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide (PubChem CID 111429543) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
PubChem CID111429543
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCCCN1CCC(O)CC1
InChIInChI=1S/C15H24N2O2S/c18-14-4-9-17(10-5-14)8-1-7-16-15(19)3-2-13-6-11-20-12-13/h6,11-12,14,18H,1-5,7-10H2,(H,16,19)
InChIKeyOETAKGLFFMKATK-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 39540383
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[2-[4-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)piperidin-1-yl]ethyl]-4-thiophen-3-ylbutanamide
CID 146148293
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 111434012

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide (CID 111429543) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCCCN1CCC(O)CC1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
The InChIKey is OETAKGLFFMKATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c18-14-4-9-17(10-5-14)8-1-7-16-15(19)3-2-13-6-11-20-12-13/h6,11-12,14,18H,1-5,7-10H2,(H,16,19).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide has a molecular weight of 296.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 111429543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).