N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide

C25H31N3O — CID 143148058

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2[nH]cc(CC(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N3O/c1-19-7-8-24-23(15-19)22(17-27-24)16-25(29)26-12-9-20-10-13-28(14-11-20)18-21-5-3-2-4-6-21/h2-8,15,17,20,27H,9-14,16,18H2,1H3,(H,26,29)
InChIKeyQRKRMVHPNKHWGB-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.44
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide (PubChem CID 143148058) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
PubChem CID143148058
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2[nH]cc(CC(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N3O/c1-19-7-8-24-23(15-19)22(17-27-24)16-25(29)26-12-9-20-10-13-28(14-11-20)18-21-5-3-2-4-6-21/h2-8,15,17,20,27H,9-14,16,18H2,1H3,(H,26,29)
InChIKeyQRKRMVHPNKHWGB-UHFFFAOYSA-N
XLogP4.44
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474665
2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110835976
3-[[2-(1-benzylpiperidin-4-yl)ethylamino]methyl]-5-methyl-1-benzothiophene-2-carboxylic acid
CID 56976032
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
(2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide
CID 162651138
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607891
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136948026

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide (CID 143148058) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide is Cc1ccc2[nH]cc(CC(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?
The InChIKey is QRKRMVHPNKHWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-19-7-8-24-23(15-19)22(17-27-24)16-25(29)26-12-9-20-10-13-28(14-11-20)18-21-5-3-2-4-6-21/h2-8,15,17,20,27H,9-14,16,18H2,1H3,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide has a molecular weight of 389.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 143148058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).