3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

C18H24N4O2 — CID 95322772

IUPAC3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCCC[C@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c1-19-18(24)21-17(23)9-11-22-10-5-4-8-16(22)15-12-13-6-2-3-7-14(13)20-15/h2-3,6-7,12,16,20H,4-5,8-11H2,1H3,(H2,19,21,23,24)/t16-/m0/s1
InChIKeyDNVZFIGOUGVHKD-INIZCTEOSA-N
MW328.42 g/mol
LogP2.54
Rot. Bonds4

About 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 95322772) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID95322772
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCCC[C@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c1-19-18(24)21-17(23)9-11-22-10-5-4-8-16(22)15-12-13-6-2-3-7-14(13)20-15/h2-3,6-7,12,16,20H,4-5,8-11H2,1H3,(H2,19,21,23,24)/t16-/m0/s1
InChIKeyDNVZFIGOUGVHKD-INIZCTEOSA-N
XLogP2.54
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-[2-(1H-indol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 155961802
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94812566
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]-1H-indole
CID 95344808
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 95322772) is 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1CCCC[C@H]1c1cc2ccccc2[nH]1.
What is the InChIKey of 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is DNVZFIGOUGVHKD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-19-18(24)21-17(23)9-11-22-10-5-4-8-16(22)15-12-13-6-2-3-7-14(13)20-15/h2-3,6-7,12,16,20H,4-5,8-11H2,1H3,(H2,19,21,23,24)/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 95322772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).