N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide

C20H25N3O2S — CID 16613440

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CN1CCC(NC(=O)CCc2ccsc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-19(7-6-16-10-13-26-15-16)21-18-8-11-23(12-9-18)14-20(25)22-17-4-2-1-3-5-17/h1-5,10,13,15,18H,6-9,11-12,14H2,(H,21,24)(H,22,25)
InChIKeyMRSIVPQQUAQVIJ-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.90
Rot. Bonds7

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide (PubChem CID 16613440) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
PubChem CID16613440
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CN1CCC(NC(=O)CCc2ccsc2)CC1)Nc1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-19(7-6-16-10-13-26-15-16)21-18-8-11-23(12-9-18)14-20(25)22-17-4-2-1-3-5-17/h1-5,10,13,15,18H,6-9,11-12,14H2,(H,21,24)(H,22,25)
InChIKeyMRSIVPQQUAQVIJ-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738004
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide (CID 16613440) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide is O=C(CN1CCC(NC(=O)CCc2ccsc2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is MRSIVPQQUAQVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(7-6-16-10-13-26-15-16)21-18-8-11-23(12-9-18)14-20(25)22-17-4-2-1-3-5-17/h1-5,10,13,15,18H,6-9,11-12,14H2,(H,21,24)(H,22,25).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 371.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 16613440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).