N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide

C22H38N4OS — CID 45230497

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1
InChIInChI=1S/C22H38N4OS/c1-4-26-11-5-6-19(26)14-23-21(27)8-7-18-9-12-25(13-10-18)15-22-24-20(16-28-22)17(2)3/h16-19H,4-15H2,1-3H3,(H,23,27)
InChIKeyWHOYUNDZARWAFD-UHFFFAOYSA-N
MW406.64 g/mol
LogP3.86
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 45230497) has the molecular formula C22H38N4OS and a molecular weight of 406.64 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
PubChem CID45230497
Molecular FormulaC22H38N4OS
Molecular Weight406.64 g/mol
Exact Mass406.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1
InChIInChI=1S/C22H38N4OS/c1-4-26-11-5-6-19(26)14-23-21(27)8-7-18-9-12-25(13-10-18)15-22-24-20(16-28-22)17(2)3/h16-19H,4-15H2,1-3H3,(H,23,27)
InChIKeyWHOYUNDZARWAFD-UHFFFAOYSA-N
XLogP3.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide (CID 45230497) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is WHOYUNDZARWAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4OS/c1-4-26-11-5-6-19(26)14-23-21(27)8-7-18-9-12-25(13-10-18)15-22-24-20(16-28-22)17(2)3/h16-19H,4-15H2,1-3H3,(H,23,27).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 406.64 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45230497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).