N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide

C16H23N3O3S — CID 110127708

IUPACN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3cccs3)[C@H]2O)CC1
InChIInChI=1S/C16H23N3O3S/c1-11(20)18-6-8-19(9-7-18)13-5-4-12(15(13)21)17-16(22)14-3-2-10-23-14/h2-3,10,12-13,15,21H,4-9H2,1H3,(H,17,22)/t12-,13-,15-/m1/s1
InChIKeyGTOYKCZUBPODPS-UMVBOHGHSA-N
MW337.45 g/mol
LogP0.53
Rot. Bonds3

About N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide (PubChem CID 110127708) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide
PubChem CID110127708
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide
SMILESCC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3cccs3)[C@H]2O)CC1
InChIInChI=1S/C16H23N3O3S/c1-11(20)18-6-8-19(9-7-18)13-5-4-12(15(13)21)17-16(22)14-3-2-10-23-14/h2-3,10,12-13,15,21H,4-9H2,1H3,(H,17,22)/t12-,13-,15-/m1/s1
InChIKeyGTOYKCZUBPODPS-UMVBOHGHSA-N
XLogP0.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide (CID 110127708) is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide is CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3cccs3)[C@H]2O)CC1.
What is the InChIKey of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide?
The InChIKey is GTOYKCZUBPODPS-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11(20)18-6-8-19(9-7-18)13-5-4-12(15(13)21)17-16(22)14-3-2-10-23-14/h2-3,10,12-13,15,21H,4-9H2,1H3,(H,17,22)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide?
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 110127708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).