formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide

C27H40N4O4 — CID 171688205

IUPACformic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide
SMILESCc1c(C)n(C)c2ccc(C(=O)N3CCCC(CC(=O)NCC4CCN(C)CC4)C3)cc12.O=CO
InChIInChI=1S/C26H38N4O2.CH2O2/c1-18-19(2)29(4)24-8-7-22(15-23(18)24)26(32)30-11-5-6-21(17-30)14-25(31)27-16-20-9-12-28(3)13-10-20;2-1-3/h7-8,15,20-21H,5-6,9-14,16-17H2,1-4H3,(H,27,31);1H,(H,2,3)
InChIKeyZEDXYYVIMVKDJY-UHFFFAOYSA-N
MW484.64 g/mol
LogP3.20
Rot. Bonds5

About formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide

formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide (PubChem CID 171688205) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Nameformic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide
PubChem CID171688205
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC Nameformic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide
SMILESCc1c(C)n(C)c2ccc(C(=O)N3CCCC(CC(=O)NCC4CCN(C)CC4)C3)cc12.O=CO
InChIInChI=1S/C26H38N4O2.CH2O2/c1-18-19(2)29(4)24-8-7-22(15-23(18)24)26(32)30-11-5-6-21(17-30)14-25(31)27-16-20-9-12-28(3)13-10-20;2-1-3/h7-8,15,20-21H,5-6,9-14,16-17H2,1-4H3,(H,27,31);1H,(H,2,3)
InChIKeyZEDXYYVIMVKDJY-UHFFFAOYSA-N
XLogP3.20
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide 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

2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
[(3R)-3-[(dimethylamino)methyl]piperidin-1-yl]-(1-ethyl-2,3-dimethylindol-5-yl)methanone
CID 51594671
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 110085800
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314
N-[(4-fluorophenyl)methyl]-2-[1-[1-(3-methylphenyl)benzimidazole-5-carbonyl]piperidin-3-yl]acetamide
CID 166375521
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide (CID 171688205) is formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide is Cc1c(C)n(C)c2ccc(C(=O)N3CCCC(CC(=O)NCC4CCN(C)CC4)C3)cc12.O=CO.
What is the InChIKey of formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is ZEDXYYVIMVKDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2.CH2O2/c1-18-19(2)29(4)24-8-7-22(15-23(18)24)26(32)30-11-5-6-21(17-30)14-25(31)27-16-20-9-12-28(3)13-10-20;2-1-3/h7-8,15,20-21H,5-6,9-14,16-17H2,1-4H3,(H,27,31);1H,(H,2,3).
What are the key properties of formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide?
formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 484.64 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(1-methylpiperidin-4-yl)methyl]-2-[1-(1,2,3-trimethylindole-5-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 171688205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).