N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide

C27H36FN3O — CID 25453562

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
SMILESCN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H36FN3O/c1-29(2)13-6-14-31(27(32)24-9-5-10-25(28)17-24)20-21-11-15-30(16-12-21)26-18-22-7-3-4-8-23(22)19-26/h3-5,7-10,17,21,26H,6,11-16,18-20H2,1-2H3
InChIKeyMAHKWAASMNRWKI-UHFFFAOYSA-N
MW437.60 g/mol
LogP4.10
Rot. Bonds8

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide (PubChem CID 25453562) has the molecular formula C27H36FN3O and a molecular weight of 437.60 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
PubChem CID25453562
Molecular FormulaC27H36FN3O
Molecular Weight437.60 g/mol
Exact Mass437.28
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
SMILESCN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C27H36FN3O/c1-29(2)13-6-14-31(27(32)24-9-5-10-25(28)17-24)20-21-11-15-30(16-12-21)26-18-22-7-3-4-8-23(22)19-26/h3-5,7-10,17,21,26H,6,11-16,18-20H2,1-2H3
InChIKeyMAHKWAASMNRWKI-UHFFFAOYSA-N
XLogP4.10
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide
CID 25450938
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56710091
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide
CID 26330980
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 29150071
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide (CID 25453562) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide is CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide?
The InChIKey is MAHKWAASMNRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O/c1-29(2)13-6-14-31(27(32)24-9-5-10-25(28)17-24)20-21-11-15-30(16-12-21)26-18-22-7-3-4-8-23(22)19-26/h3-5,7-10,17,21,26H,6,11-16,18-20H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide has a molecular weight of 437.60 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide is sourced from PubChem (CID 25453562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).