N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide

C21H24N2O2S — CID 164639830

IUPACN-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1)c1ccsc1
InChIInChI=1S/C21H24N2O2S/c24-20(17-9-12-26-14-17)22-13-15-7-10-23(11-8-15)21(25)19-6-5-16-3-1-2-4-18(16)19/h1-4,9,12,14-15,19H,5-8,10-11,13H2,(H,22,24)/t19-/m1/s1
InChIKeyIEJAWAIXZYSPJS-LJQANCHMSA-N
MW368.50 g/mol
LogP3.45
Rot. Bonds4

About N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide

N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 164639830) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide
PubChem CID164639830
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1)c1ccsc1
InChIInChI=1S/C21H24N2O2S/c24-20(17-9-12-26-14-17)22-13-15-7-10-23(11-8-15)21(25)19-6-5-16-3-1-2-4-18(16)19/h1-4,9,12,14-15,19H,5-8,10-11,13H2,(H,22,24)/t19-/m1/s1
InChIKeyIEJAWAIXZYSPJS-LJQANCHMSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-2-(4-bromothiophen-2-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 44456383
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
3-Oxo-2-propyl-N-[1-(thiophen-2-YL)ethyl]-2,3-dihydro-1H-isoindole-4-carboxamide
CID 9551005
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
5-Phenyl-thiophene-3-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 9944605
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
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
3-oxo-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 73776938
3-oxo-2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 73776942

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide (CID 164639830) is N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide is O=C(NCC1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1)c1ccsc1.
What is the InChIKey of N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is IEJAWAIXZYSPJS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-20(17-9-12-26-14-17)22-13-15-7-10-23(11-8-15)21(25)19-6-5-16-3-1-2-4-18(16)19/h1-4,9,12,14-15,19H,5-8,10-11,13H2,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide?
N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]piperidin-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 164639830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).