N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide

C21H27N3O2S — CID 1066015

IUPACN-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1
InChIInChI=1S/C21H27N3O2S/c1-3-23(4-2)21(26)17-15-16(22-20(25)19-9-8-14-27-19)10-11-18(17)24-12-6-5-7-13-24/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKeyOWOBFKWMQITTRK-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.47
Rot. Bonds6

About N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide

N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide (PubChem CID 1066015) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
PubChem CID1066015
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1
InChIInChI=1S/C21H27N3O2S/c1-3-23(4-2)21(26)17-15-16(22-20(25)19-9-8-14-27-19)10-11-18(17)24-12-6-5-7-13-24/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKeyOWOBFKWMQITTRK-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 42675249
4-[2-(diethylcarbamoyl)-4-(thiophene-2-carbonylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42673267
N-cyclohexyl-4-[2-(diethylcarbamoyl)-4-(thiophene-2-carbonylamino)phenyl]-1,4-diazepane-1-carboxamide
CID 42673487
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 42756086
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066262
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide (CID 1066015) is N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide is CCN(CC)C(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The InChIKey is OWOBFKWMQITTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-23(4-2)21(26)17-15-16(22-20(25)19-9-8-14-27-19)10-11-18(17)24-12-6-5-7-13-24/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1066015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).