N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide

C20H27N3O2S — CID 97125151

IUPACN-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)CSc1cn(C)c2ccccc12
InChIInChI=1S/C20H27N3O2S/c1-15(24)21-11-10-16-7-5-6-12-23(16)20(25)14-26-19-13-22(2)18-9-4-3-8-17(18)19/h3-4,8-9,13,16H,5-7,10-12,14H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyMPSRHEDCLAYTEZ-INIZCTEOSA-N
MW373.52 g/mol
LogP3.18
Rot. Bonds6

About N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide

N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 97125151) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
PubChem CID97125151
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@@H]1CCCCN1C(=O)CSc1cn(C)c2ccccc12
InChIInChI=1S/C20H27N3O2S/c1-15(24)21-11-10-16-7-5-6-12-23(16)20(25)14-26-19-13-22(2)18-9-4-3-8-17(18)19/h3-4,8-9,13,16H,5-7,10-12,14H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyMPSRHEDCLAYTEZ-INIZCTEOSA-N
XLogP3.18
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 95728140
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 41049021
1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone
CID 4176600
2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
CID 72846773
2-[1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-2-yl]acetic acid
CID 61011351
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
(4R)-5-[2-(1-methylindol-3-yl)sulfanylacetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 97438372
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide (CID 97125151) is N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCC[C@@H]1CCCCN1C(=O)CSc1cn(C)c2ccccc12.
What is the InChIKey of N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is MPSRHEDCLAYTEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(24)21-11-10-16-7-5-6-12-23(16)20(25)14-26-19-13-22(2)18-9-4-3-8-17(18)19/h3-4,8-9,13,16H,5-7,10-12,14H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 97125151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).