1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

C14H22N2OS — CID 91645392

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESCC(N)C1CCCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C14H22N2OS/c1-11(15)13-3-2-7-16(9-13)14(17)5-4-12-6-8-18-10-12/h6,8,10-11,13H,2-5,7,9,15H2,1H3
InChIKeyQBDFRTSZSJPQDE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 91645392) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID91645392
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESCC(N)C1CCCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C14H22N2OS/c1-11(15)13-3-2-7-16(9-13)14(17)5-4-12-6-8-18-10-12/h6,8,10-11,13H,2-5,7,9,15H2,1H3
InChIKeyQBDFRTSZSJPQDE-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-3-yl-ethyl)-amide
CID 11090957
(5Z,8Z,11Z,14Z)-N-(1-thiophen-3-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 11102012
N-(2-methoxyethyl)-3-[1-(3-thienylacetyl)piperidin-4-yl]propanamide
CID 23723469
1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
(R)-3-Amino-1-thiazolidin-3-yl-4-thiophen-3-yl-butan-1-one
CID 44393728
(2S)-2-(2-oxo-4-thiophen-3-ylpyrrolidin-1-yl)butanamide
CID 9964929
Cambridge id 7020648
CID 2924363
1-[1-(3-Thiophen-3-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 48416428
3-(1-methylpiperidin-2-yl)-N-[2-(3-methyl-2-thienyl)ethyl]propanamide
CID 50976292
1-[1-(3-Thiophen-3-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 53512558
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
CID 53529404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 91645392) is 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is CC(N)C1CCCN(C(=O)CCc2ccsc2)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is QBDFRTSZSJPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(15)13-3-2-7-16(9-13)14(17)5-4-12-6-8-18-10-12/h6,8,10-11,13H,2-5,7,9,15H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 91645392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).