(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide

C19H28N4OS — CID 129340191

IUPAC(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cccs1
InChIInChI=1S/C19H28N4OS/c1-14(17-8-6-10-25-17)19(24)22(3)12-15-7-5-9-21(2)18(15)16-11-20-23(4)13-16/h6,8,10-11,13-15,18H,5,7,9,12H2,1-4H3/t14-,15-,18+/m0/s1
InChIKeyWXSPHBNKYOFMRK-RLFYNMQTSA-N
MW360.53 g/mol
LogP3.13
Rot. Bonds5

About (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide

(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide (PubChem CID 129340191) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
PubChem CID129340191
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cccs1
InChIInChI=1S/C19H28N4OS/c1-14(17-8-6-10-25-17)19(24)22(3)12-15-7-5-9-21(2)18(15)16-11-20-23(4)13-16/h6,8,10-11,13-15,18H,5,7,9,12H2,1-4H3/t14-,15-,18+/m0/s1
InChIKeyWXSPHBNKYOFMRK-RLFYNMQTSA-N
XLogP3.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide (CID 129340191) is (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide is C[C@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1cccs1.
What is the InChIKey of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
The InChIKey is WXSPHBNKYOFMRK-RLFYNMQTSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-14(17-8-6-10-25-17)19(24)22(3)12-15-7-5-9-21(2)18(15)16-11-20-23(4)13-16/h6,8,10-11,13-15,18H,5,7,9,12H2,1-4H3/t14-,15-,18+/m0/s1.
What are the key properties of (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide?
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide has a molecular weight of 360.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 129340191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).