N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide

C19H23N3O2S — CID 122557673

IUPACN-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C19H23N3O2S/c1-2-20-19(24)22-11-9-16(10-12-22)21-18(23)15-7-5-14(6-8-15)17-4-3-13-25-17/h3-8,13,16H,2,9-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyLSRHPJHCIMDZAS-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.34
Rot. Bonds4

About N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide

N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide (PubChem CID 122557673) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
PubChem CID122557673
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C19H23N3O2S/c1-2-20-19(24)22-11-9-16(10-12-22)21-18(23)15-7-5-14(6-8-15)17-4-3-13-25-17/h3-8,13,16H,2,9-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyLSRHPJHCIMDZAS-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 95204397
N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide
CID 119071436
4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
CID 110821964
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
4-benzamido-N-[(1R)-1-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 33498882
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
N-[(4aS,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-4-thiophen-2-ylbenzamide
CID 124892708
N-(cyclopentylmethyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47071744
N-prop-2-ynyl-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801349
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide (CID 122557673) is N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)c2ccc(-c3cccs3)cc2)CC1.
What is the InChIKey of N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is LSRHPJHCIMDZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-20-19(24)22-11-9-16(10-12-22)21-18(23)15-7-5-14(6-8-15)17-4-3-13-25-17/h3-8,13,16H,2,9-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide?
N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 122557673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).