N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene

C23H30N2O2S — CID 142177185

IUPACN-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene
SMILESCC(=O)N1CCC(CNC(=O)c2ccsc2)CC1.CC1Cc2ccccc2C1
InChIInChI=1S/C13H18N2O2S.C10H12/c1-10(16)15-5-2-11(3-6-15)8-14-13(17)12-4-7-18-9-12;1-8-6-9-4-2-3-5-10(9)7-8/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,14,17);2-5,8H,6-7H2,1H3
InChIKeyHDQOQKSUVYDXTJ-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.16
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene

N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene (PubChem CID 142177185) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene
PubChem CID142177185
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene
SMILESCC(=O)N1CCC(CNC(=O)c2ccsc2)CC1.CC1Cc2ccccc2C1
InChIInChI=1S/C13H18N2O2S.C10H12/c1-10(16)15-5-2-11(3-6-15)8-14-13(17)12-4-7-18-9-12;1-8-6-9-4-2-3-5-10(9)7-8/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,14,17);2-5,8H,6-7H2,1H3
InChIKeyHDQOQKSUVYDXTJ-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene with MolForge

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Related Compounds

N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
(2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 44456382
N-(3,3-diphenylpropyl)thiophene-2-carboxamide
CID 673384
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
CID 1436831
N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
CID 2530538
N-{2-[(4-phenylcyclohexyl)amino]ethyl}thiophene-2-carboxamide
CID 3156893
N-[1-(4-Benzylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]thiophene-2-carboxamide
CID 3245545
N-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964
N-(2-fluorobenzyl)-3-{1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}propanamide
CID 16191132
N-[4-(4-diphenylmethylpiperazin-1-yl)butyl]thiophen-2-carboxamide
CID 44436723
N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-5-phenylthiophene-2-carboxamide
CID 44526751

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene (CID 142177185) is N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene is CC(=O)N1CCC(CNC(=O)c2ccsc2)CC1.CC1Cc2ccccc2C1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene?
The InChIKey is HDQOQKSUVYDXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S.C10H12/c1-10(16)15-5-2-11(3-6-15)8-14-13(17)12-4-7-18-9-12;1-8-6-9-4-2-3-5-10(9)7-8/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,14,17);2-5,8H,6-7H2,1H3.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene?
N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene has a molecular weight of 398.57 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]thiophene-3-carboxamide;2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 142177185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).