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

C19H25N3O2S — CID 110124042

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)CCc1cccs1
InChIInChI=1S/C19H25N3O2S/c1-21(18(23)9-8-16-6-4-13-25-16)14-19(24)10-5-12-22(15-19)17-7-2-3-11-20-17/h2-4,6-7,11,13,24H,5,8-10,12,14-15H2,1H3
InChIKeyJTWZTPJGWLRPAX-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.57
Rot. Bonds6

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

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 110124042) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID110124042
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)CCc1cccs1
InChIInChI=1S/C19H25N3O2S/c1-21(18(23)9-8-16-6-4-13-25-16)14-19(24)10-5-12-22(15-19)17-7-2-3-11-20-17/h2-4,6-7,11,13,24H,5,8-10,12,14-15H2,1H3
InChIKeyJTWZTPJGWLRPAX-UHFFFAOYSA-N
XLogP2.57
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 110124103
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110124186
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 125015256
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide (CID 110124042) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide is CN(CC1(O)CCCN(c2ccccn2)C1)C(=O)CCc1cccs1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is JTWZTPJGWLRPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21(18(23)9-8-16-6-4-13-25-16)14-19(24)10-5-12-22(15-19)17-7-2-3-11-20-17/h2-4,6-7,11,13,24H,5,8-10,12,14-15H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 359.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110124042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).