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

C27H35N3O2 — CID 154834685

IUPACN-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C27H35N3O2/c1-19-12-20(2)17-30(16-19)18-25-7-4-3-6-24(25)14-28-26(31)15-29-27(32)23-11-10-21-8-5-9-22(21)13-23/h3-4,6-7,10-11,13,19-20H,5,8-9,12,14-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyCPKWAAQJQZOERZ-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.70
Rot. Bonds7

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

N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 154834685) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID154834685
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C27H35N3O2/c1-19-12-20(2)17-30(16-19)18-25-7-4-3-6-24(25)14-28-26(31)15-29-27(32)23-11-10-21-8-5-9-22(21)13-23/h3-4,6-7,10-11,13,19-20H,5,8-9,12,14-18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyCPKWAAQJQZOERZ-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 154834685) is N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is CC1CC(C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CPKWAAQJQZOERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-19-12-20(2)17-30(16-19)18-25-7-4-3-6-24(25)14-28-26(31)15-29-27(32)23-11-10-21-8-5-9-22(21)13-23/h3-4,6-7,10-11,13,19-20H,5,8-9,12,14-18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 154834685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).