1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide

C16H22N2O2S — CID 103197962

IUPAC1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2cc(C#CCCO)cs2)C1
InChIInChI=1S/C16H22N2O2S/c1-17-16(20)14-6-4-7-18(10-14)11-15-9-13(12-21-15)5-2-3-8-19/h9,12,14,19H,3-4,6-8,10-11H2,1H3,(H,17,20)
InChIKeyPBVICXVWCNADLS-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.44
Rot. Bonds4

About 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide

1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103197962) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID103197962
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2cc(C#CCCO)cs2)C1
InChIInChI=1S/C16H22N2O2S/c1-17-16(20)14-6-4-7-18(10-14)11-15-9-13(12-21-15)5-2-3-8-19/h9,12,14,19H,3-4,6-8,10-11H2,1H3,(H,17,20)
InChIKeyPBVICXVWCNADLS-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 55249794
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-3-methylpiperidine-1-carboxamide
CID 79158728
4-[5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81219215
3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
3-[5-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131890979
4-[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107394526
4-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63159381
3-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690045
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
3-[5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131909002
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methyloxane-3-carboxamide
CID 62759781

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide (CID 103197962) is 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2cc(C#CCCO)cs2)C1.
What is the InChIKey of 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is PBVICXVWCNADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-17-16(20)14-6-4-7-18(10-14)11-15-9-13(12-21-15)5-2-3-8-19/h9,12,14,19H,3-4,6-8,10-11H2,1H3,(H,17,20).
What are the key properties of 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide?
1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103197962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).