N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide

C18H23N3O2S — CID 124940666

IUPACN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC[C@]1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C18H23N3O2S/c22-17(8-7-15-5-3-12-24-15)20-13-18(23)9-4-11-21(14-18)16-6-1-2-10-19-16/h1-3,5-6,10,12,23H,4,7-9,11,13-14H2,(H,20,22)/t18-/m1/s1
InChIKeyAHUWFTCXCDBMAP-GOSISDBHSA-N
MW345.47 g/mol
LogP2.22
Rot. Bonds6

About N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide (PubChem CID 124940666) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
PubChem CID124940666
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC[C@]1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C18H23N3O2S/c22-17(8-7-15-5-3-12-24-15)20-13-18(23)9-4-11-21(14-18)16-6-1-2-10-19-16/h1-3,5-6,10,12,23H,4,7-9,11,13-14H2,(H,20,22)/t18-/m1/s1
InChIKeyAHUWFTCXCDBMAP-GOSISDBHSA-N
XLogP2.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124983232
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110124042
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
CID 125013076
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110124261
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123712
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide (CID 124940666) is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC[C@]1(O)CCCN(c2ccccn2)C1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is AHUWFTCXCDBMAP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-17(8-7-15-5-3-12-24-15)20-13-18(23)9-4-11-21(14-18)16-6-1-2-10-19-16/h1-3,5-6,10,12,23H,4,7-9,11,13-14H2,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide?
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 124940666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).