N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide

C17H25N3O3S — CID 110127722

IUPACN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)s3)[C@H]2O)CC1
InChIInChI=1S/C17H25N3O3S/c1-11-3-6-15(24-11)17(23)18-13-4-5-14(16(13)22)20-9-7-19(8-10-20)12(2)21/h3,6,13-14,16,22H,4-5,7-10H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1
InChIKeyPTZIFXNYTXNHMN-IIAWOOMASA-N
MW351.47 g/mol
LogP0.84
Rot. Bonds3

About N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide (PubChem CID 110127722) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide
PubChem CID110127722
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)s3)[C@H]2O)CC1
InChIInChI=1S/C17H25N3O3S/c1-11-3-6-15(24-11)17(23)18-13-4-5-14(16(13)22)20-9-7-19(8-10-20)12(2)21/h3,6,13-14,16,22H,4-5,7-10H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1
InChIKeyPTZIFXNYTXNHMN-IIAWOOMASA-N
XLogP0.84
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 110127708
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-5-methylthiophene-2-carboxamide
CID 110127788
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 110128161
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-5-methylthiophene-2-carboxamide
CID 154823440
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide
CID 110128151
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycycloheptyl]-3-fluoro-2-hydroxybenzamide
CID 110166087
N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide (CID 110127722) is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide is CC(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)c3ccc(C)s3)[C@H]2O)CC1.
What is the InChIKey of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide?
The InChIKey is PTZIFXNYTXNHMN-IIAWOOMASA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11-3-6-15(24-11)17(23)18-13-4-5-14(16(13)22)20-9-7-19(8-10-20)12(2)21/h3,6,13-14,16,22H,4-5,7-10H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide?
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 0.84, 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 110127722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).