N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide

C22H27N3O2S — CID 47547962

IUPACN-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(CCN1CCC(NC(=O)c2cccs2)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H27N3O2S/c26-21(23-19-7-6-16-3-1-4-17(16)15-19)10-13-25-11-8-18(9-12-25)24-22(27)20-5-2-14-28-20/h2,5-7,14-15,18H,1,3-4,8-13H2,(H,23,26)(H,24,27)
InChIKeyGFLDBUDQSOHVBY-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.46
Rot. Bonds6

About N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 47547962) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID47547962
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(CCN1CCC(NC(=O)c2cccs2)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H27N3O2S/c26-21(23-19-7-6-16-3-1-4-17(16)15-19)10-13-25-11-8-18(9-12-25)24-22(27)20-5-2-14-28-20/h2,5-7,14-15,18H,1,3-4,8-13H2,(H,23,26)(H,24,27)
InChIKeyGFLDBUDQSOHVBY-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 91833281
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525559
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]thiophene-2-carboxamide
CID 9264745
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]propanamide
CID 91841564
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8570201
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091651
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide (CID 47547962) is N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(CCN1CCC(NC(=O)c2cccs2)CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is GFLDBUDQSOHVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-21(23-19-7-6-16-3-1-4-17(16)15-19)10-13-25-11-8-18(9-12-25)24-22(27)20-5-2-14-28-20/h2,5-7,14-15,18H,1,3-4,8-13H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47547962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).