N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide

C24H30N4OS — CID 25471814

IUPACN-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CCN([C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1
InChIInChI=1S/C24H30N4OS/c1-19-11-13-27(14-12-19)22(23-8-5-15-30-23)17-25-24(29)10-9-20-16-26-28(18-20)21-6-3-2-4-7-21/h2-8,15-16,18-19,22H,9-14,17H2,1H3,(H,25,29)/t22-/m1/s1
InChIKeyNZNDYWZDKGDCGQ-JOCHJYFZSA-N
MW422.60 g/mol
LogP4.46
Rot. Bonds8

About N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 25471814) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID25471814
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC NameN-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCC1CCN([C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1
InChIInChI=1S/C24H30N4OS/c1-19-11-13-27(14-12-19)22(23-8-5-15-30-23)17-25-24(29)10-9-20-16-26-28(18-20)21-6-3-2-4-7-21/h2-8,15-16,18-19,22H,9-14,17H2,1H3,(H,25,29)/t22-/m1/s1
InChIKeyNZNDYWZDKGDCGQ-JOCHJYFZSA-N
XLogP4.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 34941503
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 24658934
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 34942725
1-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012813
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266
methyl 4-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 55808660

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 25471814) is N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide is CC1CCN([C@H](CNC(=O)CCc2cnn(-c3ccccc3)c2)c2cccs2)CC1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is NZNDYWZDKGDCGQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-19-11-13-27(14-12-19)22(23-8-5-15-30-23)17-25-24(29)10-9-20-16-26-28(18-20)21-6-3-2-4-7-21/h2-8,15-16,18-19,22H,9-14,17H2,1H3,(H,25,29)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 422.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 25471814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).