N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C21H27N3O2S — CID 78876458

IUPACN-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCCN1C(=O)c1cccs1)N(C)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-16(23(2)17-9-4-3-5-10-17)15-22-20(25)18-11-6-7-13-24(18)21(26)19-12-8-14-27-19/h3-5,8-10,12,14,16,18H,6-7,11,13,15H2,1-2H3,(H,22,25)
InChIKeyQEJZFJWOTTWHSV-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78876458) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78876458
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCCN1C(=O)c1cccs1)N(C)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-16(23(2)17-9-4-3-5-10-17)15-22-20(25)18-11-6-7-13-24(18)21(26)19-12-8-14-27-19/h3-5,8-10,12,14,16,18H,6-7,11,13,15H2,1-2H3,(H,22,25)
InChIKeyQEJZFJWOTTWHSV-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876347
N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55980543
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78863262
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78876458) is N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC(CNC(=O)C1CCCCN1C(=O)c1cccs1)N(C)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is QEJZFJWOTTWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16(23(2)17-9-4-3-5-10-17)15-22-20(25)18-11-6-7-13-24(18)21(26)19-12-8-14-27-19/h3-5,8-10,12,14,16,18H,6-7,11,13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78876458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).