N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide

C17H21N3OS — CID 45223884

IUPACN-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H21N3OS/c21-17(10-14-6-9-22-13-14)19-16-5-3-8-20(12-16)11-15-4-1-2-7-18-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2,(H,19,21)
InChIKeyRUONIYIQWCUWLC-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.47
Rot. Bonds5

About N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide

N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 45223884) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
PubChem CID45223884
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H21N3OS/c21-17(10-14-6-9-22-13-14)19-16-5-3-8-20(12-16)11-15-4-1-2-7-18-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2,(H,19,21)
InChIKeyRUONIYIQWCUWLC-UHFFFAOYSA-N
XLogP2.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetamide
CID 95896405
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]furan-3-carboxamide
CID 45180386
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 56887566
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
5-(pyridin-2-ylmethyl)-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155829161

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide (CID 45223884) is N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC1CCCN(Cc2ccccn2)C1.
What is the InChIKey of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is RUONIYIQWCUWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(10-14-6-9-22-13-14)19-16-5-3-8-20(12-16)11-15-4-1-2-7-18-15/h1-2,4,6-7,9,13,16H,3,5,8,10-12H2,(H,19,21).
What are the key properties of N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide?
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 45223884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).