N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

C26H33N3O2 — CID 154834680

IUPACN-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C26H33N3O2/c1-19-11-13-29(14-12-19)18-24-6-3-2-5-23(24)16-27-25(30)17-28-26(31)22-10-9-20-7-4-8-21(20)15-22/h2-3,5-6,9-10,15,19H,4,7-8,11-14,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyOEOBQIXOWHBHHI-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.45
Rot. Bonds7

About N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 154834680) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID154834680
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C26H33N3O2/c1-19-11-13-29(14-12-19)18-24-6-3-2-5-23(24)16-27-25(30)17-28-26(31)22-10-9-20-7-4-8-21(20)15-22/h2-3,5-6,9-10,15,19H,4,7-8,11-14,16-18H2,1H3,(H,27,30)(H,28,31)
InChIKeyOEOBQIXOWHBHHI-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834685
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CID 119845171
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55710130
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
(E)-N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55710492
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 154834680) is N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is CC1CCN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is OEOBQIXOWHBHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-11-13-29(14-12-19)18-24-6-3-2-5-23(24)16-27-25(30)17-28-26(31)22-10-9-20-7-4-8-21(20)15-22/h2-3,5-6,9-10,15,19H,4,7-8,11-14,16-18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 154834680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).