N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

C14H19N3O3S — CID 51180610

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O3S/c1-11(18)16-6-8-17(9-7-16)13(19)4-5-15-14(20)12-3-2-10-21-12/h2-3,10H,4-9H2,1H3,(H,15,20)
InChIKeyQKNHDQIPALWJQZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.56
Rot. Bonds4

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 51180610) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID51180610
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H19N3O3S/c1-11(18)16-6-8-17(9-7-16)13(19)4-5-15-14(20)12-3-2-10-21-12/h2-3,10H,4-9H2,1H3,(H,15,20)
InChIKeyQKNHDQIPALWJQZ-UHFFFAOYSA-N
XLogP0.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 18104395
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788864
N-[3-[(3R)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788863
N-[3-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31424059
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide (CID 51180610) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is CC(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is QKNHDQIPALWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11(18)16-6-8-17(9-7-16)13(19)4-5-15-14(20)12-3-2-10-21-12/h2-3,10H,4-9H2,1H3,(H,15,20).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 51180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).