2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

C26H32N4O2 — CID 55734095

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C26H32N4O2/c1-18-11-13-30(14-12-18)17-20-7-9-22(10-8-20)29-26(32)25(28-19(2)31)15-21-16-27-24-6-4-3-5-23(21)24/h3-10,16,18,25,27H,11-15,17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNKJVXJAPUVWDAB-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.09
Rot. Bonds7

About 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 55734095) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID55734095
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C26H32N4O2/c1-18-11-13-30(14-12-18)17-20-7-9-22(10-8-20)29-26(32)25(28-19(2)31)15-21-16-27-24-6-4-3-5-23(21)24/h3-10,16,18,25,27H,11-15,17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyNKJVXJAPUVWDAB-UHFFFAOYSA-N
XLogP4.09
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 55885074
(2R)-2-acetamido-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 39472754
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 60575970
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 55734095) is 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is NKJVXJAPUVWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-11-13-30(14-12-18)17-20-7-9-22(10-8-20)29-26(32)25(28-19(2)31)15-21-16-27-24-6-4-3-5-23(21)24/h3-10,16,18,25,27H,11-15,17H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55734095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).