N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

C18H21N3O3S — CID 47091651

IUPACN-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CN1CCCC(O)C1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c22-15-3-1-9-21(11-15)12-17(23)19-13-5-7-14(8-6-13)20-18(24)16-4-2-10-25-16/h2,4-8,10,15,22H,1,3,9,11-12H2,(H,19,23)(H,20,24)
InChIKeyCTAGFCMANCMKJQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.40
Rot. Bonds5

About N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 47091651) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID47091651
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CN1CCCC(O)C1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O3S/c22-15-3-1-9-21(11-15)12-17(23)19-13-5-7-14(8-6-13)20-18(24)16-4-2-10-25-16/h2,4-8,10,15,22H,1,3,9,11-12H2,(H,19,23)(H,20,24)
InChIKeyCTAGFCMANCMKJQ-UHFFFAOYSA-N
XLogP2.40
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091649
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 51102607
ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
CID 18083504
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 47091651) is N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(CN1CCCC(O)C1)Nc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is CTAGFCMANCMKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-15-3-1-9-21(11-15)12-17(23)19-13-5-7-14(8-6-13)20-18(24)16-4-2-10-25-16/h2,4-8,10,15,22H,1,3,9,11-12H2,(H,19,23)(H,20,24).
What are the key properties of N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 47091651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).