formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

C23H35N3O4 — CID 154911650

IUPACformic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1CCN(CCN2CCOCC2)CC1)c1ccc2c(c1)CCC2.O=CO
InChIInChI=1S/C22H33N3O2.CH2O2/c26-22(21-5-4-19-2-1-3-20(19)16-21)23-17-18-6-8-24(9-7-18)10-11-25-12-14-27-15-13-25;2-1-3/h4-5,16,18H,1-3,6-15,17H2,(H,23,26);1H,(H,2,3)
InChIKeyHQQORSQLKMHZJQ-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.65
Rot. Bonds6

About formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 154911650) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID154911650
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Nameformic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1CCN(CCN2CCOCC2)CC1)c1ccc2c(c1)CCC2.O=CO
InChIInChI=1S/C22H33N3O2.CH2O2/c26-22(21-5-4-19-2-1-3-20(19)16-21)23-17-18-6-8-24(9-7-18)10-11-25-12-14-27-15-13-25;2-1-3/h4-5,16,18H,1-3,6-15,17H2,(H,23,26);1H,(H,2,3)
InChIKeyHQQORSQLKMHZJQ-UHFFFAOYSA-N
XLogP1.65
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 131919670
4-(2,3-dihydro-1H-inden-5-yl)-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51176726
N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 95144983
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 70714984
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91812988
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 154911650) is formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCC1CCN(CCN2CCOCC2)CC1)c1ccc2c(c1)CCC2.O=CO.
What is the InChIKey of formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HQQORSQLKMHZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2.CH2O2/c26-22(21-5-4-19-2-1-3-20(19)16-21)23-17-18-6-8-24(9-7-18)10-11-25-12-14-27-15-13-25;2-1-3/h4-5,16,18H,1-3,6-15,17H2,(H,23,26);1H,(H,2,3).
What are the key properties of formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 154911650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).