N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H31N3O2 — CID 113121783

IUPACN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(CCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C22H31N3O2/c1-3-19-8-6-7-13-25(19)22(27)12-15-24(17(2)26)14-11-18-16-23-21-10-5-4-9-20(18)21/h4-5,9-10,16,19,23H,3,6-8,11-15H2,1-2H3
InChIKeyGFTNOZALRNJZKR-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.74
Rot. Bonds7

About N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 113121783) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID113121783
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(CCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C22H31N3O2/c1-3-19-8-6-7-13-25(19)22(27)12-15-24(17(2)26)14-11-18-16-23-21-10-5-4-9-20(18)21/h4-5,9-10,16,19,23H,3,6-8,11-15H2,1-2H3
InChIKeyGFTNOZALRNJZKR-UHFFFAOYSA-N
XLogP3.74
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 47089015
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165843
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 113121783) is N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCC1CCCCN1C(=O)CCN(CCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is GFTNOZALRNJZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-19-8-6-7-13-25(19)22(27)12-15-24(17(2)26)14-11-18-16-23-21-10-5-4-9-20(18)21/h4-5,9-10,16,19,23H,3,6-8,11-15H2,1-2H3.
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113121783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).