N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide

C17H21N3OS — CID 125013076

IUPACN-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)N[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H21N3OS/c21-17(9-8-15-6-4-12-22-15)19-14-5-3-11-20(13-14)16-7-1-2-10-18-16/h1-2,4,6-7,10,12,14H,3,5,8-9,11,13H2,(H,19,21)/t14-/m0/s1
InChIKeyWCMRPEMJNVEIJH-AWEZNQCLSA-N
MW315.44 g/mol
LogP2.86
Rot. Bonds5

About N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide

N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide (PubChem CID 125013076) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
PubChem CID125013076
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)N[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H21N3OS/c21-17(9-8-15-6-4-12-22-15)19-14-5-3-11-20(13-14)16-7-1-2-10-18-16/h1-2,4,6-7,10,12,14H,3,5,8-9,11,13H2,(H,19,21)/t14-/m0/s1
InChIKeyWCMRPEMJNVEIJH-AWEZNQCLSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621291
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-(2-methylimidazol-1-yl)-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124958753
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 127247784
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide (CID 125013076) is N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)N[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is WCMRPEMJNVEIJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(9-8-15-6-4-12-22-15)19-14-5-3-11-20(13-14)16-7-1-2-10-18-16/h1-2,4,6-7,10,12,14H,3,5,8-9,11,13H2,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide?
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 125013076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).