4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide

C19H23N3O2S — CID 53145955

IUPAC4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccs2)c(N2CCCCC2)c1
InChIInChI=1S/C19H23N3O2S/c1-14(23)21-15-7-8-17(18(12-15)22-9-3-2-4-10-22)19(24)20-13-16-6-5-11-25-16/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyVHSCYRREMKQGRX-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.63
Rot. Bonds5

About 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide

4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 53145955) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID53145955
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccs2)c(N2CCCCC2)c1
InChIInChI=1S/C19H23N3O2S/c1-14(23)21-15-7-8-17(18(12-15)22-9-3-2-4-10-22)19(24)20-13-16-6-5-11-25-16/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyVHSCYRREMKQGRX-UHFFFAOYSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066262
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
CID 7130488
4-acetamido-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-1-ylbenzamide
CID 53145950

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide (CID 53145955) is 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide is CC(=O)Nc1ccc(C(=O)NCc2cccs2)c(N2CCCCC2)c1.
What is the InChIKey of 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VHSCYRREMKQGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(23)21-15-7-8-17(18(12-15)22-9-3-2-4-10-22)19(24)20-13-16-6-5-11-25-16/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 53145955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).