2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide

C25H38N4O — CID 51872377

IUPAC2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(CN2CCC(N3CCC[C@@H](C)C3)CC2)c2ccccc21
InChIInChI=1S/C25H38N4O/c1-19(2)26-25(30)18-29-17-21(23-8-4-5-9-24(23)29)16-27-13-10-22(11-14-27)28-12-6-7-20(3)15-28/h4-5,8-9,17,19-20,22H,6-7,10-16,18H2,1-3H3,(H,26,30)/t20-/m1/s1
InChIKeyJXWNHFLGELANPH-HXUWFJFHSA-N
MW410.61 g/mol
LogP3.86
Rot. Bonds6

About 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide

2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide (PubChem CID 51872377) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
PubChem CID51872377
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(CN2CCC(N3CCC[C@@H](C)C3)CC2)c2ccccc21
InChIInChI=1S/C25H38N4O/c1-19(2)26-25(30)18-29-17-21(23-8-4-5-9-24(23)29)16-27-13-10-22(11-14-27)28-12-6-7-20(3)15-28/h4-5,8-9,17,19-20,22H,6-7,10-16,18H2,1-3H3,(H,26,30)/t20-/m1/s1
InChIKeyJXWNHFLGELANPH-HXUWFJFHSA-N
XLogP3.86
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[3-[[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 92603831
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51872410
N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
CID 46967123
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
CID 51504824
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-[1-[(1-ethylindol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxylic acid
CID 74251113
2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46960332
2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 110211306
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 28697267
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide (CID 51872377) is 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(CN2CCC(N3CCC[C@@H](C)C3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JXWNHFLGELANPH-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H38N4O/c1-19(2)26-25(30)18-29-17-21(23-8-4-5-9-24(23)29)16-27-13-10-22(11-14-27)28-12-6-7-20(3)15-28/h4-5,8-9,17,19-20,22H,6-7,10-16,18H2,1-3H3,(H,26,30)/t20-/m1/s1.
What are the key properties of 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide?
2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 410.61 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 51872377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).