4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide

C19H23N3O2S — CID 33498882

IUPAC4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H23N3O2S/c1-14(17-8-5-13-25-17)20-19(24)22-11-9-16(10-12-22)21-18(23)15-6-3-2-4-7-15/h2-8,13-14,16H,9-12H2,1H3,(H,20,24)(H,21,23)/t14-/m1/s1
InChIKeyMOLFROKQTVHSFC-CQSZACIVSA-N
MW357.48 g/mol
LogP3.41
Rot. Bonds4

About 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide

4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide (PubChem CID 33498882) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
PubChem CID33498882
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H23N3O2S/c1-14(17-8-5-13-25-17)20-19(24)22-11-9-16(10-12-22)21-18(23)15-6-3-2-4-7-15/h2-8,13-14,16H,9-12H2,1H3,(H,20,24)(H,21,23)/t14-/m1/s1
InChIKeyMOLFROKQTVHSFC-CQSZACIVSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
N-[2-(4-benzamidopiperidin-1-yl)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 42931013
4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide
CID 41200367
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide (CID 33498882) is 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide?
The InChIKey is MOLFROKQTVHSFC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(17-8-5-13-25-17)20-19(24)22-11-9-16(10-12-22)21-18(23)15-6-3-2-4-7-15/h2-8,13-14,16H,9-12H2,1H3,(H,20,24)(H,21,23)/t14-/m1/s1.
What are the key properties of 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide?
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 33498882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).