N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide

C18H21N3O2S — CID 90521329

IUPACN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(11-16-4-2-10-24-16)20-12-14-5-8-21(9-6-14)18(23)15-3-1-7-19-13-15/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,20,22)
InChIKeySBQIHJRCNCBGNF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.35
Rot. Bonds5

About N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 90521329) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID90521329
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(11-16-4-2-10-24-16)20-12-14-5-8-21(9-6-14)18(23)15-3-1-7-19-13-15/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,20,22)
InChIKeySBQIHJRCNCBGNF-UHFFFAOYSA-N
XLogP2.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide (CID 90521329) is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is SBQIHJRCNCBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(11-16-4-2-10-24-16)20-12-14-5-8-21(9-6-14)18(23)15-3-1-7-19-13-15/h1-4,7,10,13-14H,5-6,8-9,11-12H2,(H,20,22).
What are the key properties of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 343.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 90521329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).