4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide

C22H29N3O2S — CID 46532852

IUPAC4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCCCc1sc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1CC
InChIInChI=1S/C22H29N3O2S/c1-3-8-19-16(4-2)15-20(28-19)21(26)23-18-11-13-25(14-12-18)22(27)24-17-9-6-5-7-10-17/h5-7,9-10,15,18H,3-4,8,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYXBOMWKPGLYVSK-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.69
Rot. Bonds6

About 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide

4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46532852) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46532852
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCCCc1sc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1CC
InChIInChI=1S/C22H29N3O2S/c1-3-8-19-16(4-2)15-20(28-19)21(26)23-18-11-13-25(14-12-18)22(27)24-17-9-6-5-7-10-17/h5-7,9-10,15,18H,3-4,8,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYXBOMWKPGLYVSK-UHFFFAOYSA-N
XLogP4.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-methylpiperidin-4-yl)-5-propylthiophene-2-carboxamide
CID 47114418
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 112804112
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)-N-phenylpiperidine-1-carboxamide
CID 134042293
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
CID 77094686
4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
CID 114549705
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 39155556
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide (CID 46532852) is 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide is CCCc1sc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1CC.
What is the InChIKey of 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is YXBOMWKPGLYVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-8-19-16(4-2)15-20(28-19)21(26)23-18-11-13-25(14-12-18)22(27)24-17-9-6-5-7-10-17/h5-7,9-10,15,18H,3-4,8,11-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46532852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).